The role played by ethanol in achieving the successive versus simultaneous mechanism of excited-state double proton transfer in dipyrido[2,3-a:3′,2′-i]carbazole-Reference-Cited by-同舟云学术

The role played by ethanol in achieving the successive versus simultaneous mechanism of excited-state double proton transfer in dipyrido[2,3-a:3′,2′-i]carbazole

Published:2018 Issue:41 Volume:20 Page:26259-26265
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Han Jianhui¹²³⁴^ORCID,Liu Xiaochun¹²³⁴,Li Hui¹²³⁴,Yin Hang¹²³⁴,Zhao Huifang¹²³⁴,Ma Lina¹²³⁴,Song Yaodong⁵⁶⁷⁴,Shi Ying¹²³⁴^ORCID

Affiliation:

1. Institute of Atomic and Molecular Physics

2. Jilin University

3. Changchun 130012

4. China

5. College of Mathematics and Physics

6. Fujian University of Technology

7. Fuzhou 350118

Abstract

The excited-state double proton transfer (ESDPT) process of dipyrido[2,3-a:3′,2′-i]carbazole (DPC) in ethanol (EtOH) solvent is investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT).

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/2018/CP/C8CP05716H

Reference61 articles.

1. Hydrogen Bonding in the Electronic Excited State

2. Excited-state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study

3. Hydrogen bond effect on the photophysical properties of 2-ureido-4[1H]-pyrimidinone quadruple hydrogen bonded systems