Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems-Reference-Cited by-同舟云学术

Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems

Published:2018-05-21 Issue:5 Volume:23 Page:1231
ISSN:1420-3049
Container-title:Molecules
language:en
Short-container-title:Molecules

Author:

de Carvalho Fabricio,Coutinho Neto Maurício,Bartoloni Fernando^ORCID,Homem-de-Mello Paula

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

Link

http://www.mdpi.com/1420-3049/23/5/1231/pdf

Reference89 articles.

1. Keto-enol tautomerization of 2-(2-hydroxyphenyl)benzoxazole and 2-(2-hydroxy-4-methylphenyl)benzoxazole in the triplet state: hydrogen tunneling and isotope effects. 2. Dual phosphorescence kinetics

2. Singlet excited-state intramolecular proton tranfer in 2-(2t'-hydroxyphenyl) benzoxazole: spectroscopy at low temperatures, femtosecond transient absorption, and MNDO calculations

3. Intramolecular proton transfer in 2-(2′-hydroxyphenyl)benzoxazole: the reliability of ab initio calculations on simplified structures

4. Semi-empirical study of a set of 2-(2′-hydroxyphenyl)benzazoles using the polarizable continuum model

5. Role of rotamerisation and excited state intramolecular proton transfer in the photophysics of 2-(2′-hydroxyphenyl)benzoxazole, 2-(2′-hydroxyphenyl)benzimidazole and 2-(2′-hydroxyphenyl)benzothiazole: a theoretical study

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