Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex

Autor(es):Mostrar menos -

Tellez Soto, C. A. ^[1] ; Costa, Jr., A. C. ^{[2, 3]} ; Ramos, J. M. ^[4] ; Versiane, O. ^[2] ; Ondar, G. F. ^[2] ; Ferreira, G. B. ^[3] ; Favero, P. P. ^[1] ; Rangel, J. L. ^[1] ; Raniero, L. ^[1] ; Bueno Costa, G. ^[1] ; Bussi, G. G. A. ^[4] ; Martin, A. A. ^[1]

Afiliação do(s) autor(es)

^[1] UNIVAP, Inst Res & Dev, IP&D, Lab Biomed Vibrat Spect, BR-12224000 Sao Jose Dos Campos, SP - Brazil

^[2] Inst Fed Educ Ciencia & Tecnol Rio de Janeiro IFR, Unidade Rio de Janeiro, Rio De Janeiro, RJ - Brazil

^[3] UFF, Inst Quim, BR-24210150 Rio De Janeiro, RJ - Brazil

^[4] Univ Fed Rio de Janeiro, Inst Quim, BR-21945970 Rio De Janeiro, RJ - Brazil

• Tipo de documento: Artigo Científico
• Fonte: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; v. 110, p. 443-449, JUN 2013.
• Citações Web of Science: 3

Resumo

Surface-enhanced Raman scattering (SERS) was used to study the interactions of the normal modes of the bis(diethyldithiocarbamate)zinc(II) complex, {[}Zn(DDTC)(2)], on nano-structured silver surfaces. The electronic spectrum of this complex was measured and the charge transfer bands were assigned through the TD-PBE1PBE procedure. To see the electronic dispersion, the Mulliken electronic charges were calculated for each normal mode and correlated with the SERS effect. Full assignment of the SERS spectra was also supported by carefully analysis of the distorted geometries generated by the normal modes. (C) 2013 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 11/22496-2 - Estudo de tecidos biológicos por Espectroscopia Raman e infravermelho
• Beneficiário: Airton Abrahao Martin
• Modalidade de apoio: Auxílio à Pesquisa - Pesquisador Visitante - Brasil