Normal coordinate analysis of dialkyldithiocarbamate and its selenium analogue

Abstract

The infrared spectrum of N,N-dimethyldithiocarbamate complex of nickel(I1) has been recorded in the range 2000-250 cm-'. Normal coordinate analyses have been made for nickel din~ethyldithio-carbamate and nickel dimethyldiselenocarban~ate colnplexes and their infrared spectra indexed. The frcquency shifts observed on alkyl substitution have been discussed. The M-Se stretching frequency occurs about 100 cm-' lower in the diselenocarba~nate con~plex as compared to M-S frcquency of the dithiocarbamate.

Normal coordinate analysis of the copper center of azurin and the assignment of its resonance Raman spectrum.

“…The structural model for beginning this analysis was based upon early crystallographic and spectroscopic results that indicated a Cu-N2SS' ligand set of approximate tetrahedral geometry. The bond lengths chosen for this analysis were those taken from EXAFS data analyses for two Cu (29,(30)(31)(32)(33) and 369 cm-') and the higher frequency component of the two broad bands (261 cm-') which had been proposed (20) …”

Characterization studies and cytotoxicity assays of Pt(II) and Pd(II) dithiocarbamate complexes by means of FT-IR, NMR spectroscopy and mass spectrometry

“…The dithiocarbamate compounds exhibit a characteristic band in the range (1580-1450) cm À1 assignable to the m(C-N) [37][38][39]; this band defines a carbon nitrogen bond order intermediate between a single bond, characteristic frequency (1350-1250) cm À1 , and a double bond (1690-1640) cm À1 [40,41]. The appearance of an FT-IR signal in that region indicates that amongst the four possible resonance structures (Fig.…”

Synthesis and spectroscopic characterization of six new monosubstituted dithiocarbamate compounds containing organotellurium(IV) heterocycles: Single-crystal structures of C5H10TeI[S2CN(CH2CH3)2], C4H8TeI[S2CN(CH2CH2)2], C4H8OTeI[S2CN(CH2CH2)2] and C5H10TeI[S2CN(CH2CH2)2]

“…The mass spectra (EI + ) of compounds 10 Te] + and m/z 327 [C 5 H 10 TeI] + for 2. In addition, 1 and 2 exhibited their base peak at m/z 148 corresponding to the [C 5 H 10 NS 2 ] + fragment from the diethyl-dithiocarbamate ligand.…”

“…The IR (KBr) spectra of the reported compounds were assigned by comparison with the literature data of similar compounds [1,[6][7][8]. In all the spectra a strong band appeared in the range of 1421-1457 cm À1 and was assigned to the N-CS 2 stretching mode [9,10].…”