title: Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex.
abstract: 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.
authors.affiliation: Laboratory of Biomedical Vibrational Spectroscopy, IP&D, Research and Development Institute, UNIVAP, Av. Shishima Hifumi, 2911, Urbanova, 12.224-000 São José dos Campos, SP, Brazil. tellez@vm.uff.br
authors.forename: C A
authors.initials: CA
authors.lastname: Téllez Soto
authors.forename: A C
authors.initials: AC
authors.lastname: Costa
authors.forename: J M
authors.initials: JM
authors.lastname: Ramos
authors.forename: O
authors.initials: O
authors.lastname: Versiane
authors.forename: G F
authors.initials: GF
authors.lastname: Ondar
authors.forename: G B
authors.initials: GB
authors.lastname: Ferreira
authors.forename: P P
authors.initials: PP
authors.lastname: Fávero
authors.forename: J L
authors.initials: JL
authors.lastname: Rangel
authors.forename: L
authors.initials: L
authors.lastname: Raniero
authors.forename: G
authors.initials: G
authors.lastname: Bueno Costa
authors.forename: G G A
authors.initials: GG
authors.lastname: Bussi
authors.forename: A A
authors.initials: AA
authors.lastname: Martin
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D004050:Ditiocarb / Q000737:chemistry*; D004583:Electrons; D008958:Models, Molecular; D013056:Spectrophotometry, Ultraviolet; D013059:Spectrum Analysis, Raman; D015032:Zinc / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D004050:Ditiocarb; D015032:Zinc