Investigation of the UV-Vis absorption of bis(N-methylthiosemicarbazonato) zinc Zn[ATSM]
The electronic structure and absorption spectra of Zn[ATSM] 2 has been modelled using ZINDO and TD-DFT methods. The calculations reproduce both the physical and electronic structure of the complex, and provided good agreement with the X-ray crystal structure and UV-Vis absorption spectrum. The calcu...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2010
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