Theoretical research on excited-state intramolecular proton coupled charge transfer modulated by molecular structure-Reference-Cited by-同舟云学术

Theoretical research on excited-state intramolecular proton coupled charge transfer modulated by molecular structure

Published:2018 Issue:52 Volume:8 Page:29662-29669
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Dapeng¹²³⁴⁵^ORCID,Yang Guang⁶⁷⁸⁴,Jia Min¹²³⁴,Song Xiaoyan¹²³⁴,Zhang Qiaoli¹²³⁴,Zhang Tianjie¹²³⁴,Gao Haiyan¹²³⁴

Affiliation:

1. School of Mathematics and Statics

2. North China University of Water Resources and Electric Power

3. Zhengzhou 450046

4. China

5. State Key Laboratory of Molecular Reaction Dynamics

6. Basic Teaching Department

7. Jiaozuo University

8. Jiaozuo 454000

Abstract

Charge transfer from O₁ to O₂ of 3HFN results in proton H₁ transfer from O₁ to O₂ in S₁ state, while small energy barrier facilitates proton H₁ transfer from O₁ to N₁ in S₁ state of diCN-HBO, which results in charge transfer from O₁ to di-cyano.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA05945D

Reference45 articles.

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3. Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes

4. Integrating proton coupled electron transfer (PCET) and excited states

5. Introduction: Proton-Coupled Electron Transfer

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