Theoretical calculations of the vibrational spectra of the complex LibeF3 molecule |
| |
Authors: | A.I. Boldyrev V.G. Solomonik O.P. Charkin |
| |
Affiliation: | Institute of New Chemical Problems, USSR Academy of Sciences, 142432 Chernogolovka, Moscow Region, USSR and Ivanovo Institute of Chemical Technology, Ivanovo 153460, USSR |
| |
Abstract: | Ab initio calculations of the structure, force field, frequencies and intensities of normal modes of the LiBeF3 molecule have been carried out, using basis sets of Huzinaga and Dunning in a double-zeta contraction. The calculated results are compared with the infrared spectrum of LiBeF3 in an inert matrix obtained by Snelson et al. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|