Abstract
For the first time the comparison of the theoretical and experimental data have shown that UV–vis absorption in the region of 600 nm 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.
Original language | English |
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Pages (from-to) | 46-50 |
Number of pages | 5 |
Journal | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy |
Volume | 179 |
DOIs | |
Publication status | Published - 15 May 2017 |
Keywords
- Band calculations
- DFT
- NbS colloidal dispersion
- UV–vis spectra
- GRAPHENE OXIDE
- UV-vis spectra
- NIOBIUM TRISULFIDE
- OPTICAL-PROPERTIES
- GENERALIZED GRADIENT APPROXIMATION
- LAYERS
- TRANSITION
- DIMENSIONAL CONDUCTOR NBS3
- NbS3 colloidal dispersion
- ELECTRONIC-STRUCTURE