Bo Chen

Dr. Bo Chen

Post-doctoral research associate

210B Baker Laboratory, Cornell University

[Google Scholar] | [Publons]



2006 – 2011    Ph.D., Organic Chemistry, Shanghai Institute of Organic Chemistry, China  (advisors: Yun-Dong Wu and Yu-Xue Li)

2002 – 2006    B.S., Applied Chemistry, University of Science & Technology Beijing, China


Research Experience

2014 – now     Postdoc, Cornell University, USA  (advisor: Roald Hoffmann)

2012 – 2014    Postdoc, University of North Texas, USA  (advisor: Weston Thatcher Borden)


Research Interests

  • Effect of pressure (up to GPa) on organic reactions in fluid and solid-state phases
  • Chemistry of diradicals and carbenes
  • Benzene nanothread formation mechanism
  • Using theory to develop new reagents and enhance selectivity
  • Computational negative ion photoelectron spectroscopy




25.   Constraining Carbon Nanothread Structures by Experimental and Calculated Nuclear Magnetic Resonance Spectra

Wang, T.; Duan, P.; Xu, E.-s.; Vermilyea, B.; Chen, B.; Li, X.; Badding, J.; Schmidt-Rohr, K.; Crespi, V.*, Nano Lett. 2018, revision submitted.


24.   The Chemical Structure of Carbon Nanothreads Analyzed by Advanced Solid-State NMR

Duan, P.; Li, X.; Wang, T; Chen, B.; Juhl, S. J.; Koeplinger, D.; Crespi, V. H.; Badding, J. V.*; Schmidt-Rohr, K.* J. Am. Chem. Soc. 2018, 140, 7658-7666.


23.   Carbon Nitride Nanothread Crystals Derived from Pyridine

Li, X.; Wang, T; Duan, P.; Baldini, M.; Huang, H.-Y.; Chen, B.; Juhl, S. J.; Koeplinger, D.; Crespi, V. H.; Schmidt-Rohr, K.; Hoffmann, R.; Alem, N.; Guthrie, M.; Zhang, X.; Badding, J. V.* J. Am. Chem. Soc. 2018, 140, 4969-4972.


22.   All the Ways to Have Substituted Nanothreads

Chen, B.; Wang, T; Crespi, V. H.; Li, X.; Badding, J.; Hoffmann, R.* J. Chem. Theory. Comput. 2018, 14, 1131-1140.


21.   Mechanochemical Synthesis of Carbon Nanothread Single Crystals

Li. X.; Baldini, M.; Wang, T.; Chen, B.; Xu, E.-s.; Vermilyea, B.; Crespi, V. H.; Hoffmann, R.; Molaison, J. J.; Tulk, C. A.; Guthrie, M.; Sinogeikin, S.; Badding, J. V.* J. Am. Chem. Soc. 2017139, 16343-16349.


20.   Bimetallic Effect of Single Nanocatalysts Visualized by Super-Resolution Catalysis Imaging

Chen, G.; Zou, N.; Chen, B.; Sambur, J. B.; Choudhary, E.; Chen, P.* ACS Cent. Sci. 2017, 3, 1189-1197.


19.   Stabilizing a Different Cyclooctatetraene Stereoisomer

L. Li, M. Lei,* Y. Xie, H. F. Schaefer III,* B. Chen, R. Hoffmann,* Proc. Natl. Acad. Sci. U.S.A. 114, 9803-9808 (2017)


18.   The Effect of Pressure on Organic Reactions in Fluids — a New Theoretical Perspective.

B. Chen, R. Hoffmann,* R. Cammi,* Angew. Chem. Int. Ed. 56, 11126-11142 (2017).


17.   Spectroscopic Characterization, Computational Investigation, and Comparisons of ECX (E = As, P, and N; X = S and O) Anions

G.-L. Hou, B. Chen.* W. J. Transue, , , , ,* ,* 


16.   Dioxygen: What Makes This Triplet Diradical Kinetically Persistent?

W. T. Borden,* R. Hoffmann,* T. Stuyver, B. ChenJ. Am. Chem. Soc. 139, 9010-9018 (2017).


15.   Calculations of the energies of the low-lying electronic states of dioxatrimethylenemethane (H2CCO2) and prediction of the negative ion photoelectron (NIPE) spectrum of its radical anion.

B. Chen, D. A. Hrovat, W. T. Borden,*  J. Phys. Org. Chem. 30, e3594 (2017).


14.   A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-triazolate Anion, HCPN3•−.

G.-L. Hou, B. Chen,* W. J. Transue, D. A. Hrovat, C. C. Cummins,* W. T. Borden,* X.-B. Wang,*  J. Phys. Chem. A. 120, 6228–6235 (2016).


13.   Palladium/N-heterocyclic carbene catalysed regio and diastereoselective reaction of ketones with allyl reagents via inner-sphere mechanism.

D.-C. Bai, F.-L. Yu, W.-Y. Wang, D. Chen, H. Li, Q.-R. Liu, C.-H. Ding, B. Chen,* X.-L. Hou,*  Nat. Commun. 7, 11806 (2016).


12.   Negative ion photoelectron spectroscopy of P2N3•−: electron affinity and electronic structures of P2N3.

G.-L. Hou, B. Chen,* W. J. Transue, D. A. Hrovat, C. C. Cummins,* W. T. Borden,* X.-B. Wang,*  Chem. Sci. 7, 4667-4675 (2016).


11.   Negative Ion Photoelectron Spectroscopy Confirms the Prediction that D3h Carbon Trioxide (CO3) Has a Singlet Ground State.

D. A. Hrovat, G.-L. Hou, B. Chen, X.-B. Wang,* W. T. Borden,*  Chem. Sci. 7, 1142-1150 (2016).


10.   Linearly Polymerized Benzene Arrays As Intermediates, Tracing Pathways to Carbon Nanothreads.

B. Chen, R. Hoffmann,* N. W. Ashcroft, J. Badding, E. Xu, V. Crespi,  J. Am. Chem. Soc. 137, 14373–14386 (2015).


9.     Synthesis of α,β-Unsaturated N-Aryl Ketonitrones from Oximes and Diaryliodonium Salts: Observation of a Metal-Free N-Arylation Process.

X.-P. Ma, W.-M. Shi, X.-L. Mo, X.-H. Li, L.-G. Li, C.-X. Pan, B. Chen,* G.-F. Su,*  D.-L. Mo,*  J. Org. Chem. 80, 10098–10107 (2015).


8.     Formation of Ground State Triplet Diradicals from Annulated Rosarin Derivatives by Triprotonation.

S. Fukuzumi,* K. Ohkubo, M. Ishida, C. Preihs, B. Chen, W. T. Borden,* D. Kim,* J. L. Sessler,*  J. Am. Chem. Soc. 137, 9780–9783 (2015).


7.    Computational and 13C Investigations of the Diazadienes and Oxazadienes Formed via the Rearrangement of Methylenecyclopropyl Hydrazones and Oximes.

B. Chen, M. E. Scott, B. A. Adams, D. A. Hrovat, W. T. Borden,*  M. Lautens,*  Org. Lett. 16, 3930–3933 (2014).


6.    The Negative Ion Photoelectron Spectrum of Cyclopropane-1,2,3-Trione Radical Anion, (CO)3•− — A Joint Experimental and Computational Study.

B. Chen, D. A. Hrovat, R. West, S. H. M. Deng, X.-B. Wang,*  W. T. Borden,*  J. Am. Chem. Soc. 136, 12345–12354 (2014).


5.    The Negative Ion Photoelectron Spectrum of meta-Benzoquinone Radical Anion (MBQ•−): a Joint Experimental and Computational Study.

B. Chen, D. A. Hrovat, S. H. M. Deng, J. Zhang, X.-B. Wang,* W. T. Borden,*  J. Am. Chem. Soc. 136, 3589–96 (2014).


4.     How to Make the σ0π2 Singlet the Ground State of Carbenes.

B. Chen, A. Y. Rogachev, D. A. Hrovat, R. Hoffmann,* W. T. Borden,*  J. Am. Chem. Soc. 135, 13954–13964 (2013).


3.    Switch of Addition and Ring-Opening Reactions of Oxabicyclic Alkenes with Terminal Alkynes by sp2-C,P- and sp3-C,P-Palladacycle Catalysis.

D.-L. Mo, B. Chen (co-first author), C.-H. Ding, L.-X. Dai, G.-C. Ge,  X.-L. Hou,*  Organometallics. 32, 4465–4468 (2013).


2.    Synchronized Aromaticity as an Enthalpic Driving Force for the Aromatic Cope Rearrangement.

D. J. Babinski, X. Bao, M. El Arba, B. Chen, D. A. Hrovat, W. T. Borden,* D. E. Frantz,*  J. Am. Chem. Soc. 134, 16139–16142 (2012).


1.     Mechanistic understanding of the unexpected meta selectivity in copper-catalyzed anilide C-H bond arylation.

B. Chen, X.-L. Hou, Y.-X. Li,* Y.-D. Wu,* J. Am. Chem. Soc. 133, 7668–71 (2011).


Updated 06/20/18.

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