| Full text | |
| Author(s): |
Perez, Natalia Marcomini
[1, 2]
;
Higashijima, Gabrielle Yumi
[1]
;
Ramos, Vania Martins
[2]
;
de Lima Batista, Ana Paula
[1]
;
Nikolaou, Sofia
[1]
Total Authors: 5
|
| Affiliation: | [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
Total Affiliations: 2
|
| Document type: | Journal article |
| Source: | Polyhedron; v. 194, JAN 15 2021. |
| Web of Science Citations: | 0 |
| Abstract | |
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) | |
| FAPESP's process: | 18/18060-3 - Use of inorganic supramolecular structures for the development of functional molecules and controlled release of bioactive species |
| Grantee: | Sofia Nikolaou |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 17/19595-5 - Properties and applications for the bambus6uril cavitand |
| Grantee: | Renato Salviato Cicolani |
| Support Opportunities: | Scholarships in Brazil - Doctorate |