Bo Chen

Ikerbasque Research Fellow, DIPC

Ikerbasque Research Fellow at DIPC.

Research line:

Nanothread chemistry and physics; high-pressure chemistry; carbene and diradical chemistry.

Previous research experience at Cornell University and University of North Texas, USA.

PhD in Organic Chemistry (2011) from Shanghai Institute of Organic Chemistry, China.

Publications

2024

Article / Cycloaddition of Butadiene with Perfluoroethylene: Prediction of a Periselectivity Switch under Pressure

The Journal of Organic Chemistry

Mohammed Loukili Ivan Rivilla Fernando P. Cossio Roberto Cammi and Bo Chen

Article / The crucial role of transient tri-coordinated oxygen in the flow of silicate melts

Physical Chemistry Chemical Physics

Gao, L.; Liu, X.; Bai, J.; Chen, B.; Wu, M.; Kong, L.; Bai, Z.; Li, W.

Article / Pressure-Induced Amidine Formation via Side-Chain Polymerization in a Charge-Transfer Cocrystal

Journal of Physical Chemistry Letters

Dunning, S.G.; Tang, W.S.; Chen, B.; Zhu, L.; Cody, G.D.; Chariton, S.; Prakapenka, V.B.; Strobel, T.A.

Article / Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: A first computational study

Journal of Chemical Physics

Cammi, R.; Chen, B.

Article / Prediction of a Novel Electromechanical Response in Polar Polymers with Rigid Backbones: Contrasting Furan-Derived Nanothreads to Poly(Vinylidene Fluoride)

Nano Letters

Wang, T.; Gao, Y.; Chen, B.; Crespi, V.H.; van Duin, A.C.T.

2023

Article / Synthesis and Post-Processing of Chemically Homogeneous Nanothreads from 2,5-Furandicarboxylic Acid**

Angewandte Chemie - International Edition

Dunning, S.G.; Chen, B.; Zhu, L.; Cody, G.D.; Chariton, S.; Prakapenka, V.B.; Zhang, D.; Strobel, T.A.

2022

Article / Theory of Borazine-Derived Nanothreads: Enumeration, Reaction Pathways, and Piezoelectricity

ACS Nano

Wang, T.; Xu, E.S.; Chen, B.; Hoffmann, R.; Crespi, V.H.

Article / Studying and exploring potential energy surfaces of compressed molecules: A fresh theory from the extreme pressure polarizable continuum model

Journal of Chemical Physics

Cammi, R.; Chen, B.

Article / Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms

Chemical Science

Eeckhoudt, J.; Bettens, T.; Geerlings, P.; Cammi, R.; Chen, B.; Alonso, M.; De Proft, F.

Article / The second derivative of the electronic energy with respect to the compression scaling factor in the XP-PCM model: Theory and applications to compression response functions of atoms

Journal of Computational Chemistry

Cammi, R.; Chen, B.

Article / Theoretical Studies of Furan and Thiophene Nanothreads: Structures, Cycloaddition Barriers, and Activation Volumes

Journal of the American Chemical Society

Chen, B.; Crespi, V.H.; Hoffmann, R.

Article / High-Pressure Reaction Profiles and Activation Volumes of 1,3-Cyclohexadiene Dimerizations Computed by the Extreme Pressure-Polarizable Continuum Model (XP-PCM)

Chemistry - A European Journal

Chen, B.; Houk, K.N.; Cammi, R.

Article / Solid-State Pathway Control via Reaction-Directing Heteroatoms: Ordered Pyridazine Nanothreads through Selective Cycloaddition

Journal of the American Chemical Society

Dunning, S.G.; Zhu, L.; Chen, B.; Chariton, S.; Prakapenka, V.B.; Somayazulu, M.; Strobel, T.A.

2021

Article / Perfect and Defective<sup>13</sup>C-Furan-Derived Nanothreads from Modest-Pressure Synthesis Analyzed by<sup>13</sup>C NMR

Journal of the American Chemical Society

Matsuura, B.S.; Huss, S.; Zheng, Z.; Yuan, S.; Wang, T.; Chen, B.; Badding, J.V.; Trauner, D.; Elacqua, E.; van Duin, A.C.T.; Crespi, V.H.; Schmidt-Rohr, K.

Article / Scalable Synthesis of Crystalline One-Dimensional Carbon Nanothreads through Modest-Pressure Polymerization of Furan

ACS Nano

Huss, S.; Wu, S.; Chen, B.; Wang, T.; Gerthoffer, M.C.; Ryan, D.J.; Smith, S.E.; Crespi, V.H.; Badding, J.V.; Elacqua, E.

2020

Article / Mechanical Control of Molecular Conductance and Diradical Character in Bond Stretching and π-Stack Compression

Journal of Physical Chemistry C

Tsuji, Y.; Okazawa, K.; Chen, B.; Yoshizawa, K.

Article / High-Pressure-Promoted and Facially Selective Diels-Alder Reactions of Enzymatically Derived cis-1,2-Dihydrocatechols and Their Acetonide Derivatives: Enantiodivergent Routes to Homochiral and Polyfunctionalized Bicyclo[2.2.2]octenes

Journal of Organic Chemistry

Stewart, S.G.; Harfoot, G.J.; McRae, K.J.; Teng, Y.; Yu, L.J.; Chen, B.; Cammi, R.; Coote, M.L.; Banwell, M.G.; Willis, A.C.