The effect of guest molecules on the conformation and molecular assembly of the fac-[RuCl3(NO)(dppb)] complex

Autor(es)

Correa, Rodrigo S. ^[1] ; Barolli, Joao P. ^[1] ; Barbosa, Marilia I. F. ^[1] ; Ellena, Javier ^[2] ; Batista, Alzir A. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Fed Sao Carlos, Dept Quim, BR-13561901 Sao Carlos, SP - Brazil

^[2] Univ Sao Paulo, Inst Fis Sao Carlos, Dept Fis Informat, BR-13560970 Sao Carlos, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Journal of Molecular Structure; v. 1048, p. 11-17, SEP 24 2013.
• Citações Web of Science: 9

Resumo

This paper describes the occurrence of two crystalline solvate forms of the nitrosyl ruthenium complex fac-{[}RuCl3(NO)(dppb)] (dppb = 1,4-bis(diphenylphosphino)butane), and the role of acetone and chloroform inclusions on molecular conformations and molecular assemblies. These two crystal forms were identified by X-ray diffraction and infrared spectroscopy, and compared with the known crystal structure of the complex, without the solvent. Using the FT-IR technique, it was possible to assign the bands characteristics of the nitrosyl stretching and the solvents. An interesting structural aspect occurring in both solvate forms is that the solvent inclusion modifies the molecular conformation of the dppb ligand and the molecular assembly. Due to the similar total volume of guest solvents, the unit cell parameters are similar, resulting in an isostructural arrangement with small differences in the intermolecular interactions, with caged guest solvents, that interact with the complex by hydrogen bonds. (c) 2013 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 09/08131-1 - Complexos de rutênio com ligantes de interesse biológico: aspectos químicos, estruturais e avaliação de suas citotoxicidades em células tumorais
• Beneficiário: Rodrigo de Souza Corrêa
• Modalidade de apoio: Bolsas no Brasil - Doutorado