Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity

被引：53

作者：

Gutierrez-Arzaluz, Luis ^{[1
]}

Cortes-Guzman, Fernando ^{[1
]}

Rocha-Rinza, Tomas ^{[1
]}

Peon, Jorge ^{[1
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Chem, Mexico City 04510, DF, Mexico

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 47期

关键词：

INTRAMOLECULAR-PROTON-TRANSFER; TRANSFER ESIPT; ELECTRON-DENSITY; DYNAMICS; INDEXES; LUMINESCENCE; PHOTOPHYSICS; CHROMOPHORES; MOLECULES; TOPOLOGY;

D O I：

10.1039/c5cp03699b

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigated two important unresolved issues on excited state intramolecular proton transfer (ESIPT) reactions, i.e., their driving force and the charge state of the transferred species by means of quantum chemical topology. We related changes in the aromaticity of a molecule after electron excitation to reaction dynamics in an excited state. Additionally, we found that the conveyed particle has a charge intermediate between that of a bare proton and a neutral hydrogen atom. We anticipate that the analysis presented in this communication will yield valuable insights into ESIPT and other similar photochemical reactions.

引用

页码：31608 / 31612

页数：5

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