Publications - Peng Liu Research Group

Publications @ Pitt

158. Glycosylation | Ab Initio Molecular Dynamics Simulations of the SN1/SN2 Mechanistic Continuum in Glycosylation Reactions

Yue Fu, Leonardo Bernasconi*, and Peng Liu*

J. Am. Chem. Soc. 2021, 143, 1577–1589. (PDF)

Highlighted by JACS Spotlights.

157. Olefin Functionalization | Anti-selective [3+2] (Hetero)annulation of Non-Conjugated Alkenes via Directed Nucleopalladation

Hui-Qi Ni, Ilia Kevlishvili, Pranali G. Bedekar, Joyann S. Barber, Shouliang Yang, Michelle Tran-Dubé, Andrew M. Romine, Hou-Xiang Lu, Indrawan J. McAlpine*, Peng Liu *, and Keary M. Engle*

Nature Comm. 2020, 11, 6432. (PDF)

156. Cycloadditions | Mechanism and Origins of Enantioselectivity in the Rh(I)-Catalyzed Pauson–Khand Reaction: Comparison of Bidentate and Monodentate Chiral Ligands

Lauren C. Burrows, Luke T. Jesikiewicz, Peng Liu*, and Kay M. Brummond*

ACS Catal. 2021, 11, 323–336. (PDF)

155. C–H Functionalization | Organophosphorus-Catalyzed Relay Oxidation of H-Bpin: Electrophilic C–H Borylation of Heteroarenes

Jeffrey M. Lipshultz, Yue Fu, Peng Liu,* and Alexander T. Radosevich*

Chem. Sci. 2021, 12, 1031–1037. (PDF)

154. Olefin Functionalization | Multifaceted Substrate–Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds

Taeho Kang, Tuğçe G. Erbay, Kane L. Xu, Gary M. Gallego, Alexander Burtea, Sajiv K. Nair, Ryan L. Patman, Ru Zhou, Scott C. Sutton, Indrawan J. McAlpine*, Peng Liu*, and Keary M. Engle*

ACS Catal. 2020, 10, 13075–13083. (PDF)

153. C–H Functionalization | Compatibility Score for Rational Electrophile Selection in Pd/NBE Cooperative Catalysis

Xiaotian Qi, Jianchun Wang, Zhe Dong, Guangbin Dong*, and Peng Liu*

Chem. 2020, 6, 2810–2825. (PDF)

News coverage: PQI.

152. Olefin Functionalization | Application of Trimethylgermanyl-Substituted Bisphosphine Ligands with Enhanced Dispersion Interactions to Copper-Catalyzed Hydroboration of Disubstituted Alkenes

Yumeng Xi, Bo Su, Xiaotian Qi, Shayun Pedram, Peng Liu*, and John F. Hartwig*

J. Am. Chem. Soc. 2020, 142, 18213–18222. (PDF)

151. Olefin Functionalization | Controlling Cyclization Pathways in Palladium(ii)-Catalyzed Intramolecular Alkene Hydro-functionalization via Substrate Directivity

Xin Wang, Zi-Qi Li, Binh Khanh Mai, John A. Gurak Jr, Jessica E. Xu, Van T. Tran, Hui-Qi Ni, Zhen Liu, Zhonglin Liu, Kin S. Yang, Rong Xiang, Peng Liu*, and Keary M. Engle*

Chem. Sci. 2020, 11, 11307–11314. (PDF)

150. Olefin Functionalization | Ligand‐Controlled Regiodivergence in Nickel‐Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids

Zi‐Qi Li, Yue Fu, Ruohan Deng, Van T. Tran, Yang Gao, Peng Liu*, and Keary M. Engle*

Angew. Chem. Int. Ed. in press. DOI: 10.1002/anie.202010840. (PDF)

149. Allylation | Asymmetric Allylic Substitution–Isomerization to Axially Chiral Enamides via Hydrogen-Bonding Assisted Central-to-Axial Chirality Transfer

Chao Sun, Xiaotian Qi, Xiao-Long Min, Xue-Dan Bai, Peng Liu*, and Ying He*

Chem. Sci. 2020, 11, 10119–10126. (PDF)

148. Chemical Education | The 3Dmol.js Learning Environment: A Classroom Response System for 3D Chemical Structures

Keshavan Seshadri, Peng Liu, and David Ryan Koes*

J. Chem. Educ. 2020, 97, 3872–3876. (PDF)

147. C–H Functionalization | Redox‐Neutral TEMPO Catalysis: Direct Radical (Hetero)Aryl C−H Di‐ and Trifluoromethoxylation

Johnny W. Lee, Sanghyun Lim, Daniel N. Maienshein, Peng Liu*, Ming‐Yu Ngai*

Angew. Chem. Int. Ed. in press. DOI: 10.1002/anie.202009490. (PDF)

146. Carbohydrate Functionalization | Total Synthesis of C-α-Mannosyl Tryptophan via Palladium-Catalyzed C–H Glycosylation

Quanquan Wang, Yue Fu, Wanjun Zhu, Shuang An, Qianyi Zhou, Shou-Fei Zhu, Gang He*, Peng Liu*, and Gong Chen*

CCS Chem. 2020, 2, 1729–1736. (PDF)

145. Alkene Functionalization | Regioselective, Photocatalytic α-Functionalization of Amines

Lingying Leng, Yue Fu, Peng Liu*, and Joseph M. Ready*

J. Am. Chem. Soc. 2020, 142, 11972–11977. (PDF)

144. Alkyne Functionalization | Stereodivergent Alkyne Hydrofluorination Using Protic Tetrafluoroborates as Tunable Reagents

Rui Guo, Xiaotian Qi, Hengye Xiang, Paul Geaneotes, Ruihan Wang, Peng Liu*, and Yi‐Ming Wang*

Angew. Chem. Int. Ed. 2020, 59, 16651–16660. (PDF)

143. C–H Functionalization | Metal-Free C–C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In Situ Generation of Sulfinate Anion

Humair M. Omer, Peng Liu*, and Kay M. Brummond*

J. Org. Chem. 2020, 85, 7959–7975. (PDF)

142. Allylation | Highly Enantioselective Synthesis of Indazoles with a C3-Quaternary Chiral Center Using CuH Catalysis

Yuxuan Ye, Ilia Kevlishvili, Sheng Feng, Peng Liu*, and Stephen L. Buchwald*

J. Am. Chem. Soc. 2020, 142, 10550–10556. (PDF)

141. Olefin Functionalization | Synthesis of Pyrroles through the CuH-Catalyzed Coupling of Enynes and Nitriles

Yujing Zhou, Lin Zhou, Luke T. Jesikiewicz, Peng Liu*, and Stephen L. Buchwald*

J. Am. Chem. Soc. 2020, 142, 9908–9914. (PDF)

140. Covalent Inhibitors | 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles

Claudio Zambaldo*, Ekaterina V. Vinogradova*, Xiaotian Qi, Jonathan Iaconelli, Radu M. Suciu, Minseob Koh, Kristine Senkane, Stormi R. Chadwick, Brittany B. Sanchez, Jason S. Chen, Arnab K. Chatterjee, Peng Liu, Peter G. Schultz, Benjamin F. Cravatt, and Michael J. Bollong*

J. Am. Chem. Soc. 2020, 142, 8972–8979. (PDF)

139. Bias Induced Spin State Transition Mediated by Electron Excitations

Hua Hao*, Ting Jia, Xiaohong Zheng, Peng Liu, and Zhi Zeng*

J. Chem. Phys. 2020, 152, 134301. (PDF)

138. Carbohydrate Functionalization | β‐Mannosylation through O‐Alkylation of Anomeric Cesium Alkoxides: Mechanistic Studies and Synthesis of the Hexasaccharide Core of Complex Fucosylated N‐Linked Glycans

Shuai Meng, Bishwa Raj Bhetuwal, Hai Nguyen, Xiaotian Qi, Cheng Fang, Kevin Saybolt, Xiaohua Li, Peng Liu*, and Jianglong Zhu*

Eur. J. Org. Chem. 2020, 2291–2301. (PDF)

137. Olefin Functionalization | A Transient‐Directing‐Group Strategy Enables Enantioselective Reductive Heck Hydroarylation of Alkenes

Lucas J. Oxtoby, Zi‐Qi Li, Van T. Tran, Tuğçe G. Erbay, Ruohan Deng, Peng Liu*, and Keary M. Engle*

Angew. Chem. Int. Ed. 2020, 59, 8885–8890. (PDF)

136. Olefin Functionalization | Computational Investigations of the Effects of N-Heterocyclic Carbene Ligands on the Mechanism, Reactivity, and Regioselectivity of Rh-Catalyzed Hydroborations

Huiling Shao, Yuening Wang, Christopher W. Bielawski*, and Peng Liu*

ACS Catal. 2020, 10, 3820–3827. (PDF)

135. Cycloaddition | Concerted [4 + 2] and Stepwise (2 + 2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

Dennis Svatunek, Ryan P. Pemberton, Joel L. Mackey, Peng Liu, and K. N. Houk*

J. Org. Chem. 2020, 85, 3858–3864. (PDF)

134. C–H Functionalization | Entry to 1,2,3,4-Tetrasubstituted Arenes through Addressing the “Meta Constraint” in the Palladium/Norbornene Catalysis

Jianchun Wang, Yun Zhou, Xiaolong Xu, Peng Liu, and Guangbin Dong*

J. Am. Chem. Soc. 2020, 142, 3050–3059. (PDF)

133. Olefin Functionalization | Integrating Allyl Electrophiles into Nickel‐Catalyzed Conjunctive Cross‐Coupling

Van T. Tran, Zi‐Qi Li, Timothy J. Gallagher, Joseph Derosa, Peng Liu, Keary M. Engle*

Angew. Chem. Int. Ed. 2020, 59, 7029–7034. (PDF)

132. Alkyne Functionalization | Cascade CuH-Catalysed Conversion of Alkynes into Enantioenriched 1,1-Disubstituted Products

De-Wei Gao, Yang Gao, Huiling Shao, Tian-Zhang Qiao, Xin Wang, Brittany B. Sanchez, Jason S. Chen, Peng Liu*, and Keary M. Engle*

Nature Catal. 2020, 3, 23–29. (PDF)

131. Olefin Functionalization | Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes

Sheng Feng, Hua Hao, Peng Liu*, and Stephen L. Buchwald*

ACS Catal. 2020, 10, 282–291. (PDF)

130. Carbohydrate Functionalization | Site-Selective and Stereoselective O-Alkylation of Glycosides by Rh(II)-Catalyzed Carbenoid Insertion

Jicheng Wu, Xiaolei Li, Xiaotian Qi, Xiyan Duan, Weston L. Cracraft, Ilia A. Guzei, Peng Liu*, and Weiping Tang*

J. Am. Chem. Soc. 2019, 141, 19902–19910. (PDF)

129. C–H Functionalization | Asymmetric Synthesis of β-Lactam via Palladium-Catalyzed Enantioselective Intramolecular C(sp3)–H Amidation

Hua-Rong Tong, Wenrui Zheng, Xiaoyan Lv, Gang He*, Peng Liu*, and Gong Chen*

ACS Catal. 2020, 10, 114–120. (PDF)

128. Allylation | Kinetics and Inverse Temperature Dependence of a Tsuji–Trost Reaction in Aqueous Buffer

Ivanna Pohorilets, Matthew P. Tracey, Michael J. LeClaire, Emily M. Moore, Gang Lu, Peng Liu*, and Kazunori Koide*

ACS Catal. 2019, 9, 11720–11733. (PDF)

127. C–C Activation | Ruthenium-Catalyzed Reductive Cleavage of Unstrained Aryl–Aryl Bonds: Reaction Development and Mechanistic Study

Jun Zhu, Peng-hao Chen, Gang Lu*, Peng Liu*, and Guangbin Dong*

J. Am. Chem. Soc. 2019, 141, 18630–18640. (PDF)

126. NHC-Boranes | The Thermal Rearrangement of an NHC‐Ligated 3‐Benzoborepin to an NHC‐Boranorcaradiene

Masaki Shimoi, Ilia Kevlishvili, Takashi Watanabe, Katsuhiro Maeda, Steven J. Geib, Dennis P. Curran*, Peng Liu*, Tsuyoshi Taniguchi*

Angew. Chem. Int. Ed. 2020, 59, 903–909. (PDF)

125. Olefin Functionalization | Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity

Jose M. Medina, Taeho Kang, Tuğçe G. Erbay, Huiling Shao, Gary M. Gallego, Shouliang Yang, Michelle Tran-Dubé, Paul F. Richardson, Joseph Derosa, Ryan T. Helsel, Ryan L. Patman, Fen Wang, Christopher P. Ashcroft, John F. Braganza, Indrawan McAlpine*, Peng Liu*, and Keary M. Engle*

ACS Catal. 2019, 9, 11130–11136. (PDF)

124. C–H Functionalization | An Enzymatic Platform for the Asymmetric Amination of Primary, Secondary and Tertiary C(sp3)–H Bonds

Yang Yang, Inha Cho, Xiaotian Qi, Peng Liu*, and Frances H. Arnold*

Nature Chem. 2019, 11, 987–993. (PDF)

123. C–C Activation | Kinetic Resolution via Rh-Catalyzed C–C Activation of Cyclobutanones at Room Temperature

Lin Deng, Yue Fu, Siu Yin Lee, Chengpeng Wang, Peng Liu*, and Guangbin Dong*

J. Am. Chem. Soc. 2019, 141, 16260–16265. (PDF)

122. Polymerization | Tuning the Reactivity of Cyclopropenes from Living Ring‐Opening Metathesis Polymerization (ROMP) to Single‐Addition and Alternating ROMP

Jessica K. Su, Zexin Jin, Rui Zhang, Gang Lu, Peng Liu*, Yan Xia*

ACS Catal. 2019, 9, 9158–9163. (PDF)

121. Allylation | Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study

Seung Wook Kim, Cole C. Meyer, Binh Khanh Mai, Peng Liu*, and Michael J. Krische*

ACS Catal. 2019, 9, 9158–9163 (PDF)

120. Polymerization | Redox-switchable olefin cross metathesis (CM) reactions and acyclic diene metathesis (ADMET) polymerizations

Yeonkyeong Ryu, Huiling Shao, Guillermo Ahumada, Peng Liu, and Christopher W. Bielawski*

Mater. Chem. Front., 2019, 3, 2083-2089. (PDF)

119. Alkene Functionalization | Energy Decomposition Analyses Reveal the Origins of Catalyst and Nucleophile Effects on Regioselectivity in Nucleopalladation of Alkenes

Xiaotian Qi, Daniel G. Kohler, Kami L. Hull*, and Peng Liu*

J. Am. Chem. Soc. 2019, 141, 11892–11904. (PDF)

118. Alkene Functionalization | Ni-Catalyzed Arylboration of Unactivated Alkenes: Scope and Mechanistic Studies

Stephen R. Sardini, Alison L. Lambright, Grace L. Trammel, Humair M. Omer, Peng Liu*, and M. Kevin Brown*

J. Am. Chem. Soc. 2019, 141, 9391–9400. (PDF)

117. Carbohydrate Functionalization | S-Adamantyl Group Directed Site-Selective Acylation and Its Applications in the Streamlined Assembly of Oligosaccharides

Stephanie A. Blaszczyk, Guozhi Xiao, Peng Wen, Hua Hao, Jessica Wu, Bo Wang, Francisco Carattino, Ziyuan Li, Daniel A. Glazier, Bethany J. McCarty, Peng Liu*, and Weiping Tang*

Angew. Chem. Int. Ed. 2019, 58, 9542–9546. (PDF)

116. Polymerization | Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

Cheng Fang, Marco Fantin, Xiangcheng Pan, Kurt de Fiebre, Michelle L. Coote*, Krzysztof Matyjaszewski*, and Peng Liu*

J. Am. Chem. Soc., 2019, 141, 7486–7497. (PDF)

115. Olefin Functionalization | β-Selective Aroylation of Activated Alkenes by Photoredox Catalysis

Zhen Lei, Arghya Banerjee, Elena Kusevska, Eric Rizzo, Peng Liu*, and Ming-Yu Ngai*

Angew. Chem. Int. Ed. 2019, 58, 7318–7323. (PDF)

114. C–H Functionalization | Computational Study of the Ni-Catalyzed C−H Oxidative Cycloaddition of Aromatic Amides with Alkynes

Humair M. Omer and Peng Liu*

ACS Omega, 2019, 4, 5209–5220. (PDF)

113. Olefin Functionalization | CuH-Catalyzed Enantioselective Ketone Allylation with 1,3-Dienes: Scope, Mechanism, and Applications

Chengxi Li, Richard Y. Liu, Luke T. Jesikiewicz, Yang Yang, Peng Liu*, and Stephen L. Buchwald*

J. Am. Chem. Soc., 2019, 141, 5062–5070. (PDF)

112. C–H Functionalization | Catalytic Radical Difluoromethoxylation of Arenes and Heteroarenes

Johnny W. Lee, Weijia Zheng, Cristian A. Morales-Rivera, Peng Liu* and Ming-Yu Ngai*

Chem. Sci., 2019, 10, 3217–3222. (PDF)

111. Polymerization | Sequence-Controlled Polymers Through Entropy-Driven Ring-Opening Metathesis Polymerization: Theory, Molecular Weight Control, and Monomer Design

Jamie A. Nowalk, Cheng Fang, Amy L. Short, Ryan M. Weiss, Jordan H. Swisher, Peng Liu, and Tara Y. Meyer*

J. Am. Chem. Soc. 2019, 141, 5741–5752. (PDF)

110. C–C Activation | Deacylative Transformations of Ketones via Aromatization-Promoted C−C Bond Activation

Yan Xu, Xiaotian Qi, Pengfei Zheng, Carlo C. Berti, Peng Liu*, and Guangbin Dong*

Nature, 2019, 567, 373–378. (PDF)

109. C–H/Olefin Functionalization | Branched-Selective Direct α-Alkylation of Cyclic Ketones with Simple Alkenes

Dong Xing, Xiaotian Qi, Daniel Marchant, Peng Liu*, and Guangbin Dong*

Angew. Chem. Int. Ed., 2019, 58, 4366–4370. (PDF)

108. Olefin Functionalization | Catalytic, Enantioselective α-Alkylation of Azlactones with Non-Conjugated Alkenes via Directed Nucleopalladation

Sri K. Nimmagadda, Mingyu Liu, Malkanthi K. Karunananda, De‐Wei Gao, Omar Apolinar, Jason S. Chen, Peng Liu*, and Keary M. Engle*

Angew. Chem. Int. Ed. 2019, 58, 3923–3927. (PDF)

107. Cross-Coupling | A Short Synthesis of Delavatine A Unveils New Insights into Site-Selective Cross-Coupling of 3,5-Dibromo-2-pyrone

Vignesh Palani, Cedric L. Hugelshofer, Ilia Kevlishvili, Peng Liu*, and Richmond Sarpong*

J. Am. Chem. Soc. 2019, 141, 2652–2660. (PDF)

106. Cycloadditions | Intermolecular Regio‐ and Stereoselective Hetero-[5+2] Cycloaddition between Oxidopyrylium Ylide and Cyclic Imine: Facile Access to Highly Substituted Azepanes

Changgui Zhao, Daniel A. Glazier, Daoshan Yang, Dan Yin, IIia A. Guzei, Michael M. Aristov, Peng Liu,* and Weiping Tang*

Angew. Chem. Int. Ed. 2019, 58, 887–891. (PDF)

105. Olefin Functionalization | Mechanistically Guided Design of Ligands that Significantly Improve the Efficiency of CuH-Catalyzed Hydroamination Reactions

Andy A. Thomas,† Klaus Speck,† Ilia Kevlishvili,† Zhaohong Lu, Peng Liu* , and Stephen L. Buchwald*
† These authors contributed equally to this work.

J. Am. Chem. Soc. 2018, 140, 13976–13984. (PDF)

104. C–H Functionalization | Redox-Active Reagents for Photocatalytic Generation of the OCF3 Radical and (Hetero)Aryl C−H Trifluoromethoxylation

Weijia Zheng, Johnny W. Lee, Cristian A. Morales‐Rivera, Peng Liu*, and Ming‐Yu Ngai*

Angew. Chem. Int. Ed. 2018, 57, 13795–13799. (PDF)

103. C–H Functionalization | H-Bonded Reusable Template Assisted para-Selective Ketonisation using Soft Electrophilic Vinyl Ethers

Arun Maji, Amit Dahiya, Gang Lu, Trisha Bhattacharya, Massimo Brochetta, Giuseppe Zanoni*, Peng Liu*, and Debabrata Maiti*

Nature Comm. 2018, 9, 3582. (PDF)

102. Reductive Coupling | Mechanistic Insights into the ReIO2(PPh3)2-Promoted Reductive Coupling of Alcohols

Camille Boucher-Jacobs, Peng Liu, and Kenneth M. Nicholas*

Organometallics, 2018, 37, 2468–2480. (PDF)

101. Cooperative Catalysis | Complementary Site-Selectivity in Arene Functionalization Enabled by Overcoming the 'Ortho Constraint' in Palladium/Norbornene Catalysis

Jianchun Wang, Renhe Li, Peng Liu, and Guangbin Dong*

Nature Chem., 2018, 10, 866–872. (PDF).

100. C–H Functionalization | Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp3)-H Bonds

Yaxin Wang, Xiafei Hu, Cristian A. Morales-Rivera, Guo-Xing Li, Xin Huang, Gang He, Peng Liu*, and Gong Chen*

J. Am. Chem. Soc., 2018, 140, 9678–9684. (PDF).

99. Polymerization | Cis-Selective Metathesis to Enhance the Living Character of Ring-Opening Polymerization: An Approach to Sequenced Copolymers

Amy L. Short, Cheng Feng, Jamie A. Nowalk, Ryan M. Weiss, Peng Liu*, and Tara Y. Meyer*

ACS Macro Lett., 2018, 7, 858–862. (PDF).

98. Cooperative Catalysis | Modular ipso/ortho Difunctionalization of Aryl Bromides via Palladium/Norbornene Cooperative Catalysis

Zhe Dong, Gang Lu, Jianchun Wang, Peng Liu*, and Guangbin Dong*

J. Am. Chem. Soc., 2018, 140, 8551–8562. (PDF).

97. Cooperative Catalysis | Traversing Steric Limitations by Cooperative Lewis Base/Palladium Catalysis: An Enantioselective Synthesis of α‐Branched Esters Using 2‐Substituted Allyl Electrophiles

Kevin J. Schwarz, Colin M. Pearson, Gabriel A. Cintron-Rosado, Peng Liu*, and Thomas N. Snaddon*

Angew. Chem. Int. Ed., 2018, 57, 7800–7803. (PDF).

96. Photoredox Chemistry | Methylene Blue Catalyzed Oxidative Cleavage of Electron-Deficient Indoles

Kui Wu, Cheng Fang, Sarbjeet Kaur, Peng Liu*, and Ting Wang*

Synthesis, 2018, 50, 2897–2907. (PDF).

95. Olefin Metathesis | An Initiation Kinetics Prediction Model Enables Rational Design of Ruthenium Olefin Metathesis Catalysts Bearing Modified Chelating Benzylidenes

Shao-Xiong Luo, Keary M. Engle, Xiaofei Dong, A Hejl, Michael K. Takase, Lawrence M. Henling, Peng Liu*, Kendall N. Houk*, and Robert H. Grubbs*

ACS Catal., 2018, 8, 4600–4611. (PDF)

94. C–H Functionalization | C(alkenyl)–H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis

Mingyu Liu, Pusu Yang, Malkanthi K. Karunananda, Yanyan Wang, Peng Liu*, and Keary M. Engle*

J. Am. Chem. Soc., 2018, 140, 5805–5813. (PDF)

93. Olefin Metathesis | Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium–Aminophosphine Complexes

Crystal K. Chu, Tzu-Pin Lin, Huiling Shao, Allegra L. Liberman-Martin, Peng Liu*, and Robert H. Grubbs*

J. Am. Chem. Soc., 2018, 140, 5634–5643. (PDF)

92. C–H Functionalization | A General Strategy for Synthesis of Cyclophane-braced Peptide Macrocycles via Palladium-Catalysed Intramolecular sp3 C−H Arylation

Xuekai Zhang, Gang Lu, Meng Sun, Madhu Mahankali, Yanfei Ma, Mingming Zhang, Wangde Hua, Yuting Hu, Qingbing Wang, Jinghuo Chen, Gang He*, Xiangbing Qi*, Weijun Shen*, Peng Liu*, and Gong Chen*

Nature. Chem., 2018, 10, 540–548. (PDF)

91. Cycloadditions | Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells

Peng An, Tracey M. Lewandowski, Tuğçe G. Erbay, Peng Liu, and Qing Lin*

J. Am. Chem. Soc., 2018, 40, 4860–4868. (PDF)

90. Book Chapter | Issues Particular to Organometallic Reactions

Gang Lu, Huiling Shao, Humair Omer, and Peng Liu

In "Applied Theoretical Organic Chemistry", Dean J. Tantillo Ed. (2018) pp. 519-539. (PDF)

89. C–H Functionalization | Catalytic C−H Trifluoromethoxylation of Arenes and Heteroarenes

Weijia Zheng, Cristian A. Morales‐Rivera, Johnny W. Lee, Peng Liu*, and Ming‐Yu Ngai*

Angew. Chem. Int. Ed., 2018, 57, 9645–9649. (PDF)

88. Carbohydrate Functionalization | Glycosyl Cross-Coupling of Anomeric Nucleophiles – Scope, Mechanism and Applications in the Synthesis of Aryl C-glycosides

Feng Zhu, Jacob Rodriguez, Tianyi Yang, Ilia Kevlishvili, Eric Miller, Duk Yi, Sloane O'Neill, Michael Rourke, Peng Liu*, and Maciej A. Walczak*

J. Am. Chem. Soc., 2017, 139, 17908–17922. (PDF)

87. C–H Functionalization | Predictive Model for Oxidative C−H Bond Functionalization Reactivity with 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)

Cristian A. Morales-Rivera, Paul E. Floreancig*, and Peng Liu*

J. Am. Chem. Soc., 2017, 139, 17935–17944. (PDF)

86. Olefin Functionalization | Ligand–Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins

Gang Lu, Richard Y. Liu, Yang Yang, Cheng Fang, Daniel S. Lambrecht*, Stephen L. Buchwald*, and Peng Liu*

J. Am. Chem. Soc., 2017, 139, 16548–16555. (PDF)

85. C–H Functionalization | Experimental and Computational Exploration of Para-Selective Silylation Involving H-Bonded Template

Arun Maji, Srimanta Guin, Sheng Feng, Amit Dahiya, Vikas Kumar Singh, Peng Liu*, and Debabrata Maiti*

Angew. Chem. Int. Ed., 2017, 56, 14903–14907. (PDF)

84. Olefin Functionalization | Tridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization

Miriam L. O’Duill, Rei Matsuura, Yanyan Wang, Joshua L. Turnbull, John A. Gurak Jr., De-Wei Gao, Gang Lu, Peng Liu*, and Keary M. Engle*

J. Am. Chem. Soc., 2017, 139, 15576–15579. (PDF)

83. Cycloadditions | Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson–Khand Reaction of Allenyl Acetates

Lauren C. Burrows, Luke T. Jesikiewicz, Gang Lu , Steven J. Geib, Peng Liu* , and Kay M. Brummond*

J. Am. Chem. Soc., 2017, 139, 15022–15032. (PDF)

82. C–H Functionalization | A Unified Photoredox-Catalysis Strategy for C(sp3)−H Hydroxylation and Amidation Using Hypervalent Iodine

Guo-Xing Li, Cristian A. Morales-Rivera, Fang Gao, Yaxin Wang, Gang He, Peng Liu*, and Gong Chen*

Chem. Sci., 2017, 8, 7180–7185. (PDF)

81. C–H Functionalization | Intramolecular C−H Activation Reactions of Ru(NHC) Complexes Combined with H2 Transfer to Alkenes: A Theoretical Elucidation of Mechanisms and Effects of Ligands on Reactivities

Katharina Marie Wenz, Peng Liu*, and K. N. Houk*

Organometallics, 2017, 36, 3613–3623. (PDF)

80. Polymerization | The Origins of the Stereoretentive Mechanism of Olefin Metathesis with Ru-Dithiolate Catalysts

Jessica M. Grandner, Huiling Shao, Robert H. Grubbs, Peng Liu*, and K. N. Houk*

J. Org. Chem., 2017, 82, 10595–10600. (PDF)

79. Olefin Functionalization | Catalytic Intermolecular Carboamination of Unactivated Alkenes via Directed Aminopalladation

Zhen Liu, Yanyan Wang, Zichen Wang, Tian Zeng, Peng Liu*, and Keary M. Engle*

J. Am. Chem. Soc., 2017, 139, 11261–11270. (PDF)

78. C–H Functionalization | Computational Study of Ni-Catalyzed C−H Functionalization: Factors that Control the Competition of Oxidative Addition and Radical Pathways

Humair M. Omer and Peng Liu*

J. Am. Chem. Soc., 2017, 139, 9909–9920. (PDF)

77. Asymmetric Reductive Coupling | NHC Ligands Tailored for Simultaneous Regio- and Enantiocontrol in Nickel-Catalyzed Reductive Couplings

Hengbin Wang, Gang Lu, Grant J. Sormunen, Hasnain A. Malik, Peng Liu,* and John Montgomery*

J. Am. Chem. Soc., 2017, 139, 9317–9324. (PDF)

76. Multi-Tasking-Catalysis | A Redox-Switchable Ring-Closing Metathesis Catalyst

Dominika N. Lastovickova, Aaron J. Teator, Huiling Shao, Peng Liu*, and Christopher W. Bielawski*

Inorg. Chem. Front., 2017, 4, 1525-1532. (PDF)

75. Atom Transfer Radical Addition | Rhodium-Catalyzed Enantioselective Radical Addition of CX4 Reagents to Olefins

Bo Chen, Cheng Fang, Peng Liu*, and Joseph M. Ready*

Angew. Chem. Int. Ed., 2017, 56, 8780–8784. (PDF)

74. Electrocyclization | Using Ring Strain to Control 4π-Electrocyclization Reactions: Torquoselectivity in Ring-Closing of Medium-Ring Dienes and Ring-Opening of Bicyclic Cyclobutenes

Byron A. Boon, Aaron G. Green, Peng Liu, K. N. Houk*, and Craig A Merlic*

J. Org. Chem., 2017, 82, 4613–4624. (PDF)

73. Carbohydrate Functionalization | Catalytic Site-selective Acylation of Carbohydrates Directed by Cation-n Interaction

Guozhi Xiao, Gabriel A. Cintron-Rosado, Daniel A. Glazier, Baomin Xi, Can Liu, Peng Liu*, and Weiping Tang*

J. Am. Chem. Soc., 2017, 139, 4346–4349. (PDF)

Highlighted in JACS Spotlights.

72. NHC-Boranes | Synthesis of Boriranes by Double Hydroboration Reactions of N-Heterocyclic Carbene Boranes and Dimethyl Acetylenedicarboxylate

Timothy R. McFadden, Cheng Fang, Steven J. Geib, Everett Merling, Peng Liu*, and Dennis P. Curran*

J. Am. Chem. Soc., 2017, 139, 1726–1729. (PDF)

News coverage: X-MOL (Chinese).

71. Multi-Tasking Catalysis | A Photoswitchable Olefin Metathesis Catalyst

Aaron J. Teator, Huiling Shao, Gang Lu, Peng Liu*, and Christopher W. Bielawski*

Organometallics, 2017, 36, 490–497. (PDF)

70. Multi-Tasking Catalysis | A Ring-Opening Metathesis Polymerization Catalyst That Exhibits Redox-Switchable Monomer Selectivities

Dominika N. Lastovickova, Huiling Shao, Gang Lu, Peng Liu*, and Christopher W. Bielawski*

Chem. Eur. J., 2017, 23, 5994–6000. (PDF)

69. C–C Functionalization | Catalytic Activation of Carbon–Carbon Bonds in Cyclopentanones

Ying Xia, Gang Lu, Peng Liu*, and Guangbin Dong*

Nature, 2016, 539, 546–550. (PDF)

News coverage: C&EN and PQI.

68. C–H Functionalization | Benzazetidine Synthesis via Palladium-Catalyzed Intramolecular C−H Amination

Gang He*, Gang Lu, Zhengwei Guo, Peng Liu*, and Gong Chen*

Nature Chem., 2016, 8, 1131–1136. (PDF)

Highlighted in Synfacts. News coverage: Phys.org.

67. Metal-Free C–H Functionalization | Photoredox-Mediated Minisci C−H Alkylation of N-Heteroarenes Using Boronic Acids and Hypervalent Iodine

Guo-Xing Li, Cristian A. Morales-Rivera, Yaxin Wang, Fang Gao, Gang He, Peng Liu*, and Gong Chen*

Chem. Sci., 2016, 7, 6407–6412. (PDF)

66. Olefin Hydrofunctionalization | Copper-Catalyzed Asymmetric Addition of Olefin-Derived Nucleophiles to Ketones

Yang Yang, Ian B. Perry, Gang Lu, Peng Liu*, and Stephen L. Buchwald*

Science, 2016, 353, 144–150. (PDF)

Highlighted in C&EN and Synfacts.

65. Transition Metal-Catalyzed Annulation | Rhodium(I)-Catalyzed Benzannulation of Heteroaryl Propargylic Esters: Synthesis of Indoles and Related Heterocycles

Xiaoxun Li, Haibo Xie, Xiaoning Fu, Jitian Liu, Hao-Yuan Wang, Bao-Min Xi,* Peng Liu,* Xiufang Xu,* and Weiping Tang*

Chem. Eur. J., 2016, 22, 10410–10414. (PDF)

64. (5 + 2) Cycloaddition | Rhodium-Catalyzed [5+2] Cycloaddition of Inverted 3-Acyloxy-1,4-enyne and Alkyne: Experimental and Theoretical Studies

Xiaoxun Li, Wangze Song, Xian-Liang Zhao, Xiaona Ke, Xiufang Xu,* Peng Liu, K. N. Houk, and Weiping Tang*

Chem. Eur. J., 2016, 22, 7079–7083. (PDF)

63. Metal-Free C–H Functionalization | Mechanistic Studies on Intramolecular C–H Trifluoromethoxylation of (Hetero)arenes via OCF3-Migration

Katarzyna N. Hojczyk, Zhen Lei, Cristian A. Morales-Rivera, Peng Liu, and Ming-Yu Ngai*

Org. Biomol. Chem., 2016, 14, 5599–5605. (PDF)

62. Metal-Free ATRP | Mechanism of Photoinduced Metal-Free Atom Transfer Radical Polymerization: Experimental and Computational Studies

Xiangcheng Pan, Cheng Fang, Marco Fantin, Nikhil Malhotra , Woong Young So, Linda A. Peteanu, Abdirisak A. Isse, Armando Gennaro,* Peng Liu,* and Krzysztof Matyjaszewski*

J. Am. Chem. Soc., 2016, 138, 2411–2425. (PDF)

61. Olefin Hydrofunctionalization | Mechanism and Origins of Ligand-Controlled Linear versus Branched Selectivity of Iridium-Catalyzed Hydroarylation of Alkenes

Genping Huang* and Peng Liu*

ACS Catal., 2016, 6, 809–820. (PDF)

60. Organolithium | Fundamental Difference in Reductive Lithiations with Preformed Radical Anions versus Catalytic Aromatic Electron-Transfer Agents: N,N-Dimethylaniline as an Advantageous Catalyst

Nicole Kennedy,* Peng Liu, and Theodore Cohen*

Angew. Chem. Int. Ed., 2016, 55, 383–386. (PDF)

59. Organolithium | Reductive Lithiation in the Absence of Aromatic Electron Carriers. A Steric Effect Manifested on the Surface of Lithium Metal Leads to a Difference in Relative Reactivity Depending on Whether the Aromatic Electron Carrier is Present or Absent.

Nicole Kennedy,* Gang Lu, Peng Liu,* and Theodore Cohen*

J. Org. Chem., 2015, 80, 8571–8582. (PDF)

58. Olefin Hydrofunctionalization | Catalytic Asymmetric Hydroamination of Unactivated Internal Olefins to Aliphatic Amines

Yang Yang, Shi-Liang Shi, Dawen Niu, Peng Liu, and Stephen L. Buchwald*

Science, 2015, 349, 62–66. (PDF)

Catalytic assembly of enantiopure aliphatic amines from abundant and readily available precursors has long been recognized as a paramount challenge in synthetic chemistry. Here, we describe a mild and general copper-catalyzed hydroamination that effectively converts unactivated internal olefins—an important yet unexploited class of abundant feedstock chemicals—into highly enantioenriched α-branched amines (≥96% enantiomeric excess) featuring two minimally differentiated aliphatic substituents. (Full abstract)

Highlighted in C&EN and Chemistry World.

57. C–C Activation | Computational Study of Rh-Catalyzed Carboacylation of Olefins: Ligand-Promoted Rhodacycle Isomerization Enables Regioselective C–C Bond Functionalization of Benzocyclobutenones

Gang Lu, Cheng Fang, Tao Xu, Guangbin Dong, and Peng Liu*

J. Am. Chem. Soc., 2015, 137, 8274–8283. (PDF)

The mechanism, reactivity, regio- and enantioselectivity of the Rh-catalyzed carboacylation of benzocyclobutenones are investigated using DFT calculations. The calculations indicate that the selective activation of the relatively unreactive C1–C2 bond in benzocyclobutenone is achieved via initial C1–C8 bond oxidative addition, followed by rhodacycle isomerization via decarbonylation and CO insertion. (Full abstract)

56. Olefin Metathesis | Origins of Initiation Rate Differences in Ruthenium Olefin Metathesis Catalysts Containing Chelating Benzylidenes

Keary M. Engle, Gang Lu, Shao-Xiong Luo, Lawrence M. Henling, Michael K. Takase, Peng Liu,* K. N. Houk,* and Robert H. Grubbs*

J. Am. Chem. Soc., 2015, 137, 5782–5792. (PDF)

A series of second-generation ruthenium olefin metathesis catalysts was investigated using a combination of reaction kinetics, X-ray crystallography, NMR spectroscopy, and DFT calculations in order to determine the relationship between the structure of the chelating o-alkoxybenzylidene and the observed initiation rate. The initiation rate was found to correlate strongly with the computed Ru–O bond strength. (Full abstract)

55. C–H Functionalization | Mechanism and Origins of Selectivities in the Copper-Catalyzed Dearomatization-Induced ortho C–H Cyanation of Vinylarenes

Yang Yang and Peng Liu*

ACS. Catal., 2015, 5, 2944–2951. (PDF)

DFT calculations indicated this C–H cyanation is composed of two discrete catalytic cycles (the copper-catalyzed electrophilic cyanative dearomatization and the subsequent base-catalyzed hydrogen transposition) that furnish the ortho C–H cyanated arenes. (Full abstract)

Highlighted in the ACS Select Virtual Issue on First Row Transition Metal Complexes.

54. Essay | Using Computational Chemistry to Understand & Discover Chemical Reactions
K. N. Houk and Peng Liu, Daedalus 2014, 143, 49–66. (PDF)

Publications before Pitt

2015-2017

53. Cycloadditions | 1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides
Ilke U. Marion, Sesil A. Cinar, Burcu Dedeoglu, Viktorya Aviyente,* M. Frederick Hawthorne, Peng Liu, Fang Liu, K. N. Houk,* and Gonzalo Jiménez-Osés* J. Org. Chem., 2017, 82, 5096–5101. (PDF)

52. Olefin Metathesis | Probing Stereoselectivity in Ring-Opening Metathesis Polymerization Mediated by Cyclometalated Ruthenium-Based Catalysts: A Combined Experimental and Computational Study
Lauren E. Rosebrugh, Tonia S. Ahmed, Vanessa M. Marx, John Hartung, Peng Liu, Jesús García-López, K. N. Houk,* and Robert H. Grubbs* J. Am. Chem. Soc., 2016, 138, 1394–1405. (PDF)

51. Amide C–N Bond Activation | Conversion of Amides to Esters by the Nickel-Catalysed Activation of Amide C–N Bonds
Liana Hie, Noah F. Fine Nathel, Tejas K. Shah, Emma L. Baker, Xin Hong, Yun-Fang Yang, Peng Liu, K. N. Houk,* and Neil K. Garg* Nature, 2015, 524, 79–83. (PDF)

News coverage: C&EN, Synform, C&EN Top Research of 2015.

50. Enzyme Catalysis | Enzymatic Hydroxylation of an Unactivated Methylene C–H Bond Guided by Molecular Dynamics Simulations
Alison R. H. Narayan, Gonzalo Jiménez-Osés, Peng Liu, Solymar Negretti, Wanxiang Zhao, Michael M. Gilbert, Raghunath O. Ramabhadran, Yun-Fang Yang, Lawrence R. Furan, Zhe Li, Larissa M. Podust, John Montgomery,* K. N. Houk,* and David H. Sherman* Nat. Chem., 2015, 7, 653–660. (PDF)

49. Olefin Metathesis | Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups
Myles B. Herbert, Benjamin A. Suslick, Peng Liu, Lufeng Zou, Peter K. Dornan, K. N. Houk,* and Robert H. Grubbs* Organometallics, 2015, 34, 2858–2869. (PDF)

48. Reductive Coupling | Mechanistic Basis for Regioselection and Regiodivergence in Nickel-Catalyzed Reductive Couplings
Evan P. Jackson, Hasnain A. Malik, Grant J. Sormunen, Ryan D. Baxter, Peng Liu, Hengbin Wang, Abdur-Rafay Shareef, and John Montgomery* Acc. Chem. Res., 2015, 48, 1736–1745. (PDF)

47. Olefin Metathesis | Computational Studies of Ruthenium-Catalyzed Olefin Metathesis (Book Chapter)
Peng Liu, Buck L. H. Taylor, Jesus Garcia-Lopez, and K. N. Houk in "Handbook of Metathesis", 2nd ed. vol. 1, Wiley-VCH (2015). (PDF).

46. Carbon Nanotubes | N-Type Conjugated Polymer-Enabled Selective Dispersion of Semiconducting Carbon Nanotubes for Flexible CMOS-Like Circuits
Huiliang Wang, Yaoxuan Li, Gonzalo Jiménez-Osés, Peng Liu, Ya Fang, Jie Zhang, Ying-Chih Lai, Steve Park, Liwei Chen, Kendall N. Houk, and Zhenan Bao* Adv. Func. Mater., 2015, 25, 1837–1844. (PDF)

45. Cross-Coupling | Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates
Scott E. Denmark,* Wen-Tau T. Chang, K. N. Houk, and Peng Liu J. Org. Chem., 2015, 80, 313–366. (PDF)

44. Carbon Nanotubes | Solvent Effects on Polymer Sorting of Carbon Nanotubes with Applications in Printed Electronics
Huiliang Wang, Bing Hsieh, Gonzalo Jiménez-Osés, Peng Liu, Christopher J. Tassone, Ying Diao, Ting Lei, Kendall N. Houk, and Zhenan Bao* Small, 2015, 11, 126–133. (PDF)

2014

43. Reductive Coupling | Dimer Involvement and Origin of Crossover in Nickel-Catalyzed Aldehyde-Alkyne Reductive Couplings
M. Taylor Haynes, Peng Liu, Ryan D. Baxter, Alex J. Nett, K. N. Houk,* and John Montgomery* J. Am. Chem. Soc., 2014, 136, 17495–17504. (PDF)

42. (5+2) Cycloadditions | Reactivity and Chemoselectivity of Allenes in Rh(I)-Catalyzed Intermolecular (5+2) Cycloadditions with Vinylcyclopropanes: Allene-Mediated Rhodacycle Formation Can Poison Rh(I)-Catalyzed Cycloadditions
Xin Hong, Matthew C. Stevens, Peng Liu, Paul A. Wender,* and K. N. Houk* J. Am. Chem. Soc., 2014, 136, 17273–17283. (PDF)

41. Hetero-Diels-Alder Reaction | Regioselectivity in the Cu(I)-Catalyzed [4 + 2]-Cycloaddition of 2-Nitrosopyridine with Unsymmetrical Dienes
Anh T. Tran, Peng Liu, K. N. Houk, and Kenneth M. Nicholas* J. Org. Chem. 2014, 79, 5617–5626. (PDF)

40. C–H Activation | Carboxylate-Assisted C(sp3)–H Activation in Olefin Metathesis-Relevant Ruthenium Complexes
Jeffrey S. Cannon, Lufeng Zou, Peng Liu, Yu Lan, Daniel J. O'Leary,* K. N. Houk,* and Robert H. Grubbs* J. Am. Chem. Soc. 2014, 136, 6733–6743. (PDF)

39. C–H Activation | Distortion/Interaction Analysis Reveals the Origins of Selectivities in Iridium-Catalyzed C–H Borylation of Substituted Arenes and 5-Membered Heterocycles
Aaron G. Green, Peng Liu, Craig A. Merlic,* and K. N. Houk* J. Am. Chem. Soc. 2014, 136, 4575–4583. (PDF)

38. Quasiclassical Dynamics | Competition Between Concerted and Stepwise Dynamics in the Triplet Di-π-Methane Rearrangement
Gonzalo Jiménez-Osés, Peng Liu, Ricardo A. Matute, and K. N. Houk* Angew. Chem., Int. Ed., 2014, 53, 8664–8667. (PDF)

37. Carbon Nanotubes | High-Yield Sorting of Small-Diameter CoMoCAT SWNTs for Solar Cells and Transistors
Huiliang Wang, Ghada I. Koleilat, Peng Liu, Gonzalo Jiménez-Osés, Ying-Chih Lai, Michael Vosgueritchian, Ya Fang, Steve Park, K. N. Houk, and Zhenan Bao* ACS Nano, 2014, 8, 2609–2617. (PDF)

News coverage: Nanotechweb, Stanford GCEP.

36. C–H Activation | Role of N-Acyl Amino Acid Ligands on Pd(II)-Catalyzed Remote C–H Activation of Tethered Arenes
Gui-Juan Cheng, Yun-Fang Yang, Peng Liu, Ping Chen, Tian-Yu Sun, Gang Li, Xinhao Zhang, K. N. Houk,* Jin-Quan Yu,* and Yun-Dong Wu* J. Am. Chem. Soc., 2014, 136, 894–897. (PDF)

35. C–H Activation | Palladium-Catalyzed Meta-Selective CH Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity
Yun-Fang Yang, Gui-Juan Cheng, Peng Liu, Dasheng Leow, Tian-Yu Sun, Ping Chen, Xinhao Zhang, Jin-Quan Yu,* Yun-Dong Wu,* and K. N. Houk* J. Am. Chem. Soc., 2014, 136, 344–355. (PDF).

2013

34. Conjugate Addition | Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to β-Substituted Cyclic Enones: Insights from Computation and Experiment
Jeffrey C. Holder, Lufeng Zou, Alexander N. Marziale, Peng Liu, Yu Lan, Michele Gatti, Kotaro Kikushima, K. N. Houk,* and Brian M. Stoltz* J. Am. Chem. Soc., 2013, 135, 14996–15007 (PDF).

33. Conductive Polymers | Confined Organization of Fullerene Units along High Polymer Chains
Lei Fang, Peng Liu, Benjamin R. Sveinbjornsson, Sule Atahan-Evrenk, Koen Vandewal, Sílvia Osuna, Gonzalo Jiménez-Osés, Supriya Shrestha, Gaurav Giri, Peng Wei, Alberto Salleo, Alán Aspuru-Guzik, Robert H. Grubbs, K. N. Houk, and Zhenan Bao* J. Mater. Chem. C, 2013, 1, 5747–5755 (PDF).

32. (5+2) Cycloadditions | Rh-Catalyzed (5+2) Cycloadditions of 3-Acyloxy-1,4-enynes and Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity
Xiufang Xu,* Peng Liu, Xing-zhong Shu, Weiping Tang,* and K. N. Houk* J. Am. Chem. Soc., 2013, 135, 9271–9274 (PDF).

31. Olefin Metathesis | Z-Selective Ethenolysis With a Ruthenium Metathesis Catalyst: Experiment and Theory
Hiroshi Miyazaki, Myles B. Herbert, Peng Liu, Xiaofei Dong, Xiufang Xu, Benjamin K. Keitz, Thay Ung, Garik Mkrtumyan, K. N. Houk,* and Robert H. Grubbs*, J. Am. Chem. Soc. 2013, 135, 5848–5858 (PDF).

30. Glycol Deoxydehydration | On the Mechanism of Sulfite-Driven, MeReO3-Catalyzed Deoxydehydration of Glycols
Peng Liu and Kenneth M. Nicholas*, Organometallics, 2013, 32, 1821–1831. (PDF)

29. Carbon Nanotubes | Scalable and Selective Dispersion of Semiconducting Arc-Discharged Carbon Nanotubes by Dithiafulvalene/Thiophene Copolymers for Thin Film Transistors
Huiliang Wang, Jianguo Mei, Peng Liu, Kristin Schmidt, Gonzalo Jiménez-Osés, Sílvia Osuna, Lei Fang, Christopher J. Tassone, Arjan Pieter Zoombelt, Anatoliy N. Sokolov, Kendall. N. Houk, Michael F. Toney, and Zhenan Bao*, ACS Nano, 2013, 7, 2659–2668. (PDF)

News coverage: Materials 360.

28. (5+2) Cycloadditions | Mechanism and Origins of Ligand-Controlled Selectivities in [Ni(NHC)]-Catalyzed Intramolecular (5+2) Cycloadditions and Homo-Ene Reactions: A Theoretical Study
Xin Hong, Peng Liu, and K. N. Houk*, J. Am. Chem. Soc. 2013, 135, 1456–1462. (PDF)

2012

27. C–H Activation | Cafestol to tricalysiolide B and 6β-hydroxy-tricalysiolide B: Biosynthetic and derivatization studies using non-heme iron catalyst Fe(PDP)
Marinus A. Bigi, Peng Liu, Lufeng Zou, K. N. Houk,* and M. Christina White*, Synlett 2012, 23, 2768–2772. (PDF)

26. Organocatalysis | Catalytic, Enantioselective N-Acylation of Lactams and Thiolactams Using Amidine-Based Catalysts
Xing Yang, Valentina D. Bumbu, Peng Liu, Ximin Li, Hui Jiang, Eric W. Uffman, Lei Guo, Wei Zhang, Xuntian Jiang, K. N. Houk,* and Vladimir B. Birman*, J. Am. Chem. Soc. 2012, 134, 17605–17612. (PDF)

Highlighted in Synfacts 2012, 8, 1372 (PDF).

25. Olefin Metathesis | Z-Selectivity in Olefin Metathesis with Chelated Ru Catalysts: Computational Studies of Mechanism and Selectivity
Peng Liu, Xiufang Xu, Xiaofei Dong, Benjamin K. Keitz, Myles B. Herbert, Robert H. Grubbs*, and K. N. Houk* J. Am. Chem. Soc. 2012, 134, 1464–1467. (PDF)

24. Alkene Carbohalogenation | Theoretical Study of Pd(0)-Catalyzed Carbohalogenations of Alkenes: Mechanism and Origins of Reactivities and Selectivities in Alkyl Halide Reductive Elimination from Pd(II) Species
Yu Lan, Peng Liu, Stephen G. Newman, Mark Lautens*, and K. N. Houk* Chem. Sci. 2012, 3, 1987–1995. (PDF)

23. Olefin Metathesis | Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts
Myles B. Herbert, Yu Lan, Benjamin K. Keitz, Peng Liu, Koji Endo, Michael W. Day, K. N. Houk,* and Robert H. Grubbs* J. Am. Chem. Soc. 2012, 134, 7861–7866. (PDF)

22. Quasiclassical Dynamics | Dynamics, Transition States, and Timing of Bond Formation in Diels-Alder Reactions
Kersey Black, Peng Liu, Lai Xu, Charles Doubleday,* and K. N. Houk* Proc. Natl. Acad. Sci. U. S. A. 2012, 109, 12860–12865. (PDF)

News coverage: UC Newsroom, UCLA Newsroom, Phys.org, ScienceDaily, EurekAlert (AAAS), E ScienceNews.

21. Organocatalysis | Origin of Enantioselectivity in Benzotetramisole-Catalyzed Dynamic Kinetic Resolution of Azlactones
Peng Liu, Xing Yang, Vladimir B. Birman,* and K. N. Houk* Org. Lett. 2012, 14, 3288–3291. (PDF)

20. (5+2) Cycloadditions | Ligand Effects on Rates and Regioselectivities of Rh(I)-Catalyzed (5+2) Cycloadditions: A Computational Study of Cyclooctadiene and Dinaphthocyclooctatetraene as Ligands
Xiufang Xu, Peng Liu, Adam Lesser, Lauren E. Sirois, Paul A. Wender*, and K. N. Houk* J. Am. Chem. Soc. 2012, 134, 11012–11025. (PDF)

Highlighted in JACS Spotlights.

19. Organocatalysis | Manifestation of Felkin-Anh Control in Enantioselective Acyl Transfer Catalysis: Kinetic Resolution of Carboxylic Acids
Xing Yang, Peng Liu, K. N. Houk*, and Vladimir B. Birman* Angew. Chem., Int. Ed. 2012, 9638–9642. (PDF)

18. C–H Activation | Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C–H Bond Activation: Intermediate Characterization and Computational Studies
Ramesh Giri, Yu Lan, Peng Liu, K. N. Houk*, and Jin-Quan Yu* J. Am. Chem. Soc. 2012, 134, 14118–14126. (PDF)

17. Polyoxometalate Catalysts | Mechanism of the Cycloaddition of Carbon Dioxide and Epoxides Catalyzed by Co-Substituted 12-Tungstenphosphate
Fawang Chen, Xiaofang Li, Bo Wang, Tiegang Xu, Shi-Lu Chen,* Peng Liu,* and Changwen Hu* Chem. Eur. J. 2012, 18, 9870–9876. (PDF)

2011

16. Reductive Coupling | Ligand Steric Contours To Understand the Effects of N-Heterocyclic Carbene Ligands on the Reversal of Regioselectivity in Ni-Catalyzed Reductive Couplings of Alkynes and Aldehydes
Peng Liu, John Montgomery,* and K. N. Houk* J. Am. Chem. Soc. 2011, 133, 6956–6959. (PDF)

15. Hydrogenative Coupling | Mechanism, Regio- and Stereoselectivities of Rh(I)-Catalyzed Hydrogenative Couplings of 1,3-Diynes and Activated Carbonyl Partners: Intervention of a Novel Cumulene Intermediate
Peng Liu, Michael J. Krische,* and K. N. Houk*, Chem. Eur. J. 2011, 17, 4021–4029. (PDF)

14. Cross-Coupling | Suzuki–Miyaura Cross-Coupling of Aryl Carbamates and Sulfamates: Experimental and Computational Studies
Kyle W. Quasdorf, Aurora Antoft-Finch, Peng Liu, Anna Komaromi, Amanda L. Silberstein, Tom Blackburn, Stephen D. Ramgren, K. N. Houk*, Victor Snieckus*, and Neil K. Garg* J. Am. Chem. Soc. 2011, 133, 6352–6363 (PDF)

Highlighted in Synfacts 2011, 7, 771 (PDF).

13. Cross-Coupling | Nickel-Catalyzed Amination of Aryl Carbamates and Sequential Site-Selective Cross-Couplings
Tehetena Mesganaw, Amanda L. Silberstein, Stephen D. Ramgren, Noah Fine Nathel, Xin Hong, Peng Liu, and Neil K. Garg* Chem. Sci. 2011, 2, 1766–1771. (PDF)

12. Review | Regioselectivity Rules | Theoretical Studies of Regioselectivity of Ni- and Rh-Catalyzed C–C Bond Forming Reactions with Unsymmetrical Alkynes
Peng Liu, and K. N. Houk*, Inorg. Chim. Acta (invited review in the special issue honoring Robert G. Bergman), 2011, 369, 2–14. (PDF)

2006 - 2010

11. (5+2) Cycloaddition | Electronic and Steric Control of Regioselectivities in Rh(I)-Catalyzed (5+2) Cycloadditions: Experiment and Theory
Peng Liu, Lauren E. Sirois, Paul Ha-Yeon Cheong, Zhi-Xiang Yu, Ingo V. Hartung, Heiko Rieck, Paul A. Wender,* and K. N. Houk,* J. Am. Chem. Soc. 2010, 132, 10127–10135 (PDF)

Indexed by ChemInform 2011, 42, DOI: 10.1002/chin.201102071 (PDF).

10. C–H Activation | On the Mechanism of Ligand-Assisted, Copper-Catalyzed Benzylic Amination by Chloramine-T
Dipti N. Barman, Peng Liu, Kendall N. Houk,* and Kenneth M. Nicholas*, Organometallics, 2010, 29, 3404–3412. (PDF)

9. Reductive Coupling | Origins of Regioselectivity and Alkene-Directing Effects in Nickel-Catalyzed Reductive Coupling Reactions
Peng Liu, P. R. McCarren, Paul Ha-Yeon Cheong, Timothy F. Jamison,* and K. N. Houk,* J. Am. Chem. Soc., 2010, 132, 2050–2057. (PDF)

8. Ullmann Reaction | Computational Exploration of Mechanisms and Ligand-Directed Selectivities of Copper-Catalyzed Ullmann-Type Reactions
Gavin O. Jones, Peng Liu, K. N. Houk,* and Stephen L. Buchwald,* J. Am. Chem. Soc. 2010, 132, 6205–6213. (PDF)

Highlighted in JACS Select virtual issue #13.

7. Reductive Coupling | Mechanism and Transition State Structures for Nickel-Catalyzed Reductive Alkyne-Aldehyde Coupling Reactions
P. R. McCarren, Peng Liu, Paul Ha-Yeon Cheong, Timothy F. Jamison,* and K. N. Houk* J. Am. Chem. Soc., 2009, 131, 6654–6655. (PDF)

6. (5+2) Cycloaddition | Substituent Effects on Reaction Barriers, Reactant Preorganization Energies, and Ligand Exchange Energies Control Reactivities in Rh(I)-Catalyzed (5+2) Cycloadditions of Substituted Vinylcyclopropanes with Alkynes
Peng Liu, Paul Ha-Yeon Cheong, Zhi-Xiang Yu, Paul A. Wender,* and K. N. Houk* Angew. Chem., Int. Ed. 2008, 47, 3939–3941; Angew. Chem. 2008, 120, 4003–4005. (PDF)

5. (5+2) Cycloaddition | Origins of differences in reactivities of alkenes, alkynes, and allenes in [Rh(CO)2CI]2-catalyzed (5+2) cycloaddition reactions with vinylcyclopropanes
Zhi-Xiang Yu, Paul Ha-Yeon Cheong, Peng Liu, Claude Y. Legault, Paul A. Wender,* and K. N. Houk* J. Am. Chem. Soc. 2008, 130, 2378–2379. (PDF)

4. Organocatalysis | Origin of Enantioselectivity in CF3-PIP-Catalyzed Kinetic Resolution of Secondary Benzylic Alcohols
Ximin Li, Peng Liu, K. N. Houk,* and Vladimir B. Birman* J. Am. Chem. Soc. 2008, 130, 13836–13837. (PDF)

3. 19F NMR | Theoretical studies of the conformations and 19F NMR spectra of linear and a branched perfluorooctanesulfonamide (PFOSAmide)
Peng Liu, John D. Goddard, Gilles Arsenault,* Jun Gu, Alan J. McAlees, Robert McCrindle, and Valerie Robertson Chemosphere 2007, 69, 1213–1220. (PDF)

2. [2+2] Cycloaddition | Ruthenium-Catalyzed [2+2] Cycloadditions between Substituted Alkynes and Norbornadiene: A Theoretical Study
Peng Liu, William Tam, and John D. Goddard* Tetrahedron 2007, 63, 7659–7666. (PDF)

1. [2+2] Cycloaddition | Remote Substituent Effects in Ruthenium-Catalyzed [2+2] Cycloadditions: An Experimental and Theoretical Study
Peng Liu, Robert W. Jordan, Steven P. Kibbee, John D. Goddard,* and William Tam* J. Org. Chem., 2006, 71, 3793–3803. (PDF)