Surface enhanced Raman scattering, natural bond orbitals and Mulliken atomic charge distribution in the normal modes of diethyldithiocarbamate cadmium (II) complex, [Cd(DDTC)₂].

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy(2015)

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摘要
•SERS for [Cd(DDTC)2] was obtained on nano-structured silver surfaces.•Electronic spectrum was measured and charge transfer bands (CT) were assigned.•Mulliken electronic charges were calculated for each normal mode and correlated with the SERS effect.•The FT-IR and FT-Raman spectra of [Cd(DDTC)] were recorded and assigned.
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关键词
Bis(diethyldithiocarbamate)cadmium (II) complex,Vibrational spectra,NBO,SERS spectrum,DFT method
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