Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model-Reference-Cited by-同舟云学术

Solvent effects on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model

Published:2017 Issue:34 Volume:19 Page:23289-23301
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yu Xue-fang¹²³⁴⁵,Yamazaki Shohei⁶⁷⁸⁹¹⁰,Taketsugu Tetsuya¹¹¹²¹³¹⁴¹⁰

Affiliation:

1. The Laboratory of Theoretical and Computational Chemistry

2. School of Chemistry and Chemical Engineering

3. Yantai University

4. Yantai 264005

5. China

6. Department of Frontier Materials Chemistry

7. Graduate School of Science and Technology

8. Hirosaki University

9. Hirosaki 036-8561

10. Japan

11. Department of Chemistry

12. Faculty of Science

13. Hokkaido University

14. Sapporo 060-0810

Abstract

Solvent effects on the excited-state double proton transfer (ESDPT) mechanism in the 7-azaindole (7AI) dimer were investigated using the time-dependent density functional theory (TDDFT) method.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP04942K

Reference65 articles.

1. Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: The role of electron-driven proton-transfer processes

2. Photochemical selectivity in guanine-cytosine base-pair structures

3. Ultrafast Electronic Relaxation in Guanosine is Promoted by Hydrogen Bonding with Cytidine

4. Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA

5. Ultraviolet Absorption Induces Hydrogen‐Atom Transfer in G⋅C Watson–Crick DNA Base Pairs in Solution

Cited by 17 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study;Molecular Physics;2024-08-26

2. Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization;Organic & Biomolecular Chemistry;2024

3. Achieving the cooperative and stepwise regulation of ESIDPT process in AFBD by introducing different electronic groups;Journal of Molecular Structure;2023-12

4. A combined spectroscopic and computational investigation on the solvent-to-chromophore excited-state proton transfer in the 2,2′-pyridylbenzimidazole–methanol complex;Physical Chemistry Chemical Physics;2023

5. AIE mechanism of 2-(2-hydroxyphenyl) benzothiazole derivatives: CASPT2 and spin-flip study;Dyes and Pigments;2022-08