DFT calculation of optical properties of new neutral hexacoordinated Si(bzimpy)2 complexes
We consider optical properties of 4 neutral hexacoordinated Si(bzimpy) 2 complexes, containing the 2,6-bis(benzimidazol-2 ′ -yl) pyridine ligand using DFT method. The geometrical parameters of the optimized cluster structures, the electronic absorption spectrum, and the molecular orbitals of the st...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
L.N. Gumilyov Eurasian National University
2019-06-01
|
| Series: | Eurasian Journal of Physics and Functional Materials |
| Subjects: | |
| Online Access: | http://ephys.kz/files/2019-06-18_10_20190302.pdf |