Metal-metal bond excitation in colloidal solution of NbS3

Spectrochim Acta A Mol Biomol Spectrosc. 2017 May 15:179:46-50. doi: 10.1016/j.saa.2017.02.005. Epub 2017 Feb 5.

Abstract

For the first time the comparison of the theoretical and experimental data have shown that UV-vis absorption in the region of 600nm in colloidal solution of NbS3 can be described by the d-d electronic transitions to the antibonding molecular orbital. It is proved that the process leads to excitation of metal-metal bond.

Keywords: Band calculations; DFT; NbS(3) colloidal dispersion; UV–vis spectra.