Short Note
Version 1
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Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate
Version 1
: Received: 20 March 2017 / Approved: 20 March 2017 / Online: 20 March 2017 (10:00:42 CET)
A peer-reviewed article of this Preprint also exists.
Bélanger-Desmarais, N.; Reber, C. Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate. Molbank 2017, 2017, M937. Bélanger-Desmarais, N.; Reber, C. Triphenylphosphine-(N,N-dimethyldithiocarbamato)-gold(I) Methanol Solvate. Molbank 2017, 2017, M937.
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 is in good agreement with the crystal structure and the DFT-calculated Raman spectrum also is in excellent agreement with the experimental spectrum. Assignments of the Raman peaks are based on these DFT calculations. Frontier molecular orbitals were calculated and their nature is discussed.
Keywords
au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; Single crystal X-ray diffraction; DFT calculations
Subject
Chemistry and Materials Science, Inorganic and Nuclear Chemistry
Copyright: 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.
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