Preprint Short Note Version 1 NOT YET PEER-REVIEWED

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.

Journal reference: Molbank 2017, 2017, M937
DOI: 10.3390/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.

Subject Areas

au(I) dithiocarbamate and phosphine complex; Raman spectroscopy; Single crystal X-ray diffraction; DFT calculations

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