A computationally-derived model for the solvatochromism of p-phenolates with high predictive power-Reference-Cited by-同舟云学术

A computationally-derived model for the solvatochromism of p-phenolates with high predictive power

Published:2018 Issue:26 Volume:20 Page:18127-18132
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mera-Adasme Raúl¹²³⁴,Domínguez Moisés¹²³⁴^ORCID

Affiliation:

1. Departamento de Ciencias del Ambiente

2. Facultad de Qúímica y Biología

3. Universidad de Santiago de Chile (USACH)

4. Chile

Abstract

We report that the positive, reverse or negative solvatochromism of p-phenolate-based dyes is highly correlated with the multireferential (MR) character of their ground-state wave function, with negative compounds presenting the highest degeneracy.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Comisión Nacional de Investigación Científica y Tecnológica

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/C8CP02424C

Reference61 articles.

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