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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

The thermochromic behavior of aromatic amine-SO2 charge transfer complexes

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Autor(es):
Monezi, Natalia M. ; Borin, Antonio C. ; Santos, Paulo S. ; Ando, Romulo A.
Número total de Autores: 4
Tipo de documento: Artigo Científico
Fonte: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; v. 173, p. 462-467, FEB 15 2017.
Citações Web of Science: 2
Resumo

The distinct thermochromism observed in solutions containing N,N-dimethylaniline (DMA) and N,N-diethylaniline (DEA) and SO2 was investigated by resonance Raman spectroscopy in a wide range of temperatures. The results indicate in addition to the charge transfer (CT) complexes DMA-SO2 and DEA-SO2, the presence of collision complexes involving the CT complexes and excess DMA and DEA molecules. The latter in fact is the chromophore responsible for the long wavelength absorption originating the color. The Raman signature of the collision complex was attributed to the distinct enhancement of a band at 1140 cm(-1) assigned to v(s)(SO2), in contrast to the same mode in the 1:1 complex at 1115 cm(-1). The intensity of such band, assigned to the collision complex is favored at high temperatures and depends on the steric hindrance associated to amines, as well as the SO2 molar fraction. Quantum chemical calculations based on time-dependent density functional theory (TDDFT) support the proposed interpretation. (C) 2016 Elsevier B.V. All rights reserved. (AU)

Processo FAPESP: 12/13119-3 - Espectroscopia vibracional em fases condensadas
Beneficiário:Mauro Carlos Costa Ribeiro
Linha de fomento: Auxílio à Pesquisa - Temático