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Molbank 2017, 2017(2), M937;

Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate

Département de chimie, Université de Montréal, Montréal QC H3C 3J7, Canada; [email protected]
Author to whom correspondence should be addressed.
Received: 1 March 2017 / Revised: 20 March 2017 / Accepted: 23 March 2017 / Published: 30 March 2017
(This article belongs to the Section Structure Determination)
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Abstract: A gold(I) complex with a triphenylphosphine and a monodentate N,N-dimethyldithiocarbamate ligand was synthesized and characterized by Raman spectroscopy and single crystal X-ray diffraction. DFT calculations (Gaussian 09, PBE1PBE/Lanl2dz) were undertaken for a single complex in the gas phase. The DFT-optimized structure and calculated Raman spectrum are in good agreement with the crystal structure and the experimental spectrum. Assignments of the Raman peaks are based on these DFT calculations. Frontier molecular orbitals were calculated and their nature is discussed. View Full-Text
Keywords: Au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; single crystal X-ray diffraction; DFT calculations Au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; single crystal X-ray diffraction; DFT calculations
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Bélanger-Desmarais, N.; Reber, C. Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate. Molbank 2017, 2017, M937.

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