Фізика і хімія твердого тіла (Sep 2016)
Raman Spectroscopy Of Fullerene-Like Molecules Of Silicon Dioxide (SiO<sub>2</sub>)<sub>N</sub>(H<sub>2</sub>O)<sub>N/2</sub>
Abstract
The Raman spectra of monosilicic, disilicic acid molecules, tetra- and pentasilicic acid molecules with cyclic structure, cage-like okta- and dekasilicic asid molecules, and of fullerene-like molecule (SiO<sub>2</sub>)<sub>N</sub>(H<sub>2</sub>O)<sub>N/2</sub> have been calculated using density functional theory method (exchange-correlation functional B3LYP and basis set 6- 31G (d, p)) and assignment of frequencies in conformity with the shape fluctuations have been executed.
