Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

Autor(es):Mostrar menos -

Mendes, Rodrigo A. ^[1] ; Germino, Jose Carlos ^[2] ; Fazolo, Bruno R. ^[1] ; Thaines, Ericson H. N. S. ^[1] ; Ferraro, Franklin ^[3] ; Santana, Anderson M. ^[1] ; Ramos, Romildo J. ^[1] ; de Souza, Gabriel L. C. ^[1] ; Freitas, Renato G. ^[1] ; Vazquez, Pedro A. M. ^[2] ; Barboza, Cristina A. ^[4]

Afiliação do(s) autor(es)

^[1] Fed Univ Mato Grosso UFMT, Dept Chem, LCM, Cuiaba - Brazil

^[2] State Univ Campinas UNICAMP, Inst Chem, Campinas, SP - Brazil

^[3] Univ Catolica Luis Amigo, Dept Ciencias Basicas, Medellin - Colombia

^[4] Polish Acad Sci, Inst Phys, PL-02668 Warsaw - Poland

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF ADVANCED RESEARCH; v. 9, p. 27-33, JAN 2018.
• Citações Web of Science: 2

Resumo

The effect of the coordination of a Ni(II) ion on the electronic and magnetic properties of the ligand salophen were experimentally and theoretically evaluated. The complex {[}Ni(salophen)] was synthesized and characterized through FTIR and an elemental analysis. Spectral data obtained using DMSO as a solvent showed that the ligand absorption profile was significantly disturbed after the coordination of the metal atom. In addition to a redshift of the salophen ligand absorption bands, mainly composed by pi -> pi{*} electronic transitions, additional bands of around 470 nm were observed, resulting in a partial metal-to-ligand charge transfer. Furthermore, a significant increment of its band intensities was observed, favoring a more intense absorption in a broader range of the visible spectrum, which is a desired characteristic for applications in the field of organic electronics. This finding is related to an increment of the planarity and consequent electron delocalization of the macrocycle in the complex, which was estimated by the calculation of the current strengths at the PBE0/cc-pVTZ (Dyall.v3z for Ni(II)) level. (C) 2017 Production and hosting by Elsevier B.V. on behalf of Cairo University. (AU)

• Processo FAPESP: 13/16245-2 - Propriedades fotofísicas de filmes finos de polímeros conjugados
• Beneficiário: Teresa Dib Zambon Atvars
• Modalidade de apoio: Auxílio à Pesquisa - Regular