Theoretical study on the dehydrogenation reaction of dihydrogen bonded phenol–borane-trimethylamine in the excited state-Reference-Cited by-同舟云学术

Theoretical study on the dehydrogenation reaction of dihydrogen bonded phenol–borane-trimethylamine in the excited state

Published:2015 Issue:48 Volume:17 Page:32132-32139
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Yonggang¹²³⁴,Liu Yufang¹²³⁴,Yang Dapeng⁵⁶⁷⁴,Li Hui¹²³⁴,Jiang Kai⁸²³⁴,Sun Jinfeng¹²³⁴

Affiliation:

1. College of Physics and Information Engineering

2. Henan Normal University

3. Xinxiang 453007

4. China

5. Physics Laboratory

6. North China University of Water Resources and Electric Power

7. Zhengzhou 450045

8. College of Chemistry and Environmental Science

Abstract

No dehydrogenation reaction occurs in the ground state of dihydrogen bonded phenol–BTMA. TS-S₁₀ points to the formation of a hydrogen molecule, while TS-S₁₁ points to the B atom. The dehydrogenation reaction along TS-S₁₀ is energy favorable, unlike that along TS-S₁₁.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02530C

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1. Femtosecond Pump-Probe Measurements of Solvation by Hydrogen-Bonding Interactions

2. Is the Hydrogen Bond in Water Dimer and Ice Covalent?

3. Hydrogen-Bonding and van der Waals Complexes Studied by ZEKE and REMPI Spectroscopy