Vibrational and electronic spectroscopy of neutral antimony coordination compounds of the 1,3-dithiole-2-thione-4,5-dithiolate (dmit).
作者： Laura J. S. Lopes , Antonio C. O. Guerra , Nadia M. Comerlato , Cássia C. Turci , Glaucio B. Ferreira
DOI: 10.1021/JP208881G
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摘要: The S 1s X-ray absorption near edge structure (XANES) and photoelectron spectra (XPS) of the neutral complexes [SbL(dmit)] (L = Br or I; dmit =1,3-dithiole-2-thione-4,5-dithiolate) have been measured using tunable synchrotron radiation. valence shell electronic excitation by ultraviolet–visible (UV–vis) spectroscopy infrared vibrational are presented analyzed. UV–vis results lead to an assignment bands at 400 nm as πSm → π*C═S, where Sm is thiolate sulfur. corresponding π*C═S transition was identified 2468.3 eV. Ab initio calculations, within improved virtual orbital (IVO) method, carried out with GSCF3 program, were applied establish a complete accurate spectral assignment. It has first attempt apply such methodology for coordination compounds, very consistent obtained.
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