Probing solvents effects on the absorption spectrum of oxo-centered carbonyl-triruthenium clusters

Autor(es)

Perez, Natalia Marcomini ^{[1, 2]} ; Higashijima, Gabrielle Yumi ^[1] ; Ramos, Vania Martins ^[2] ; de Lima Batista, Ana Paula ^[1] ; Nikolaou, Sofia ^[1]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Fac Filosofia Ciencias & Letras Ribeirao Preto, Lab Atividade Biol & Quim Supramol Supramol Compo, Dept Quim, BR-14040901 Ribeirao Preto, SP - Brazil

^[2] Univ Sao Paulo, Fac Filosofia Ciencias & Letras Ribeirao Preto, Lab Computac Espectroscopia & Cinet, Dept Quim, BR-14040901 Ribeirao Preto, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Polyhedron; v. 194, JAN 15 2021.
• Citações Web of Science: 0

Resumo

In this work, we describe a combined experimental and theoretical study focused on the solvatochromic effects of eight different solvents on the UV absorption spectrum of three distinct oxo-centered carbonyl-triruthenium clusters of general formula {[}Ru3O(CH3COO)(6)(CO)(L)(2)], where L=(1) 2,6-dimethylpyrazine (dmpz), (2) pyridine (py), and (3) 4-aminopyridine (ampy). Due to the nature of the ancillary ligands, the charge transfer (CT) absorption band of each complex have a different shift as the solvent polarity/polarizability increases. These shifts have been rationalized using a combined Density Functional/Time-Dependent Density Functional theory and two popular solvatochromic scales: the Catalan and the Kamlet-Taft models. According to the Kamlet-Taft method, the ability of the solvent to donate a proton in a solvent-solute hydrogen bond is more essential on describing the solvatochromic properties of 3 than 1, being also more relevant than solvent polarity. The employed solvatochromic scales also corroborate the preferential solvation behavior of these complexes. (C) 2020 Elsevier Ltd. All rights reserved. (AU)

• Processo FAPESP: 18/18060-3 - Uso de estruturas supramoleculares inorgânicas com vistas ao desenvolvimento de moléculas funcionais e liberação controlada de espécies bioativas
• Beneficiário: Sofia Nikolaou
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 17/19595-5 - Propriedades e aplicações do cavitando bambus[6]urila
• Beneficiário: Renato Salviato Cicolani
• Modalidade de apoio: Bolsas no Brasil - Doutorado