Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10155994 | Journal of Alloys and Compounds | 2019 | 42 Pages |
Abstract
The Raman and infrared spectra at room temperature are recorded in the wavenumber range 10-3600â¯cmâ1 and 400-4000â¯cmâ1, respectively. Ab-initio calculations have been performed using the Gaussian 98 program at room temperature. Hartree-Fock (HF) and B3LYP density functional theory (DFT) methods with 6-31G (d) and LanL2DZ basis sets were used to obtain equilibrium geometry and the fundamental vibrational frequencies and spectroscopic intensities of the free polyhedra [(N(CH3)4]+ and [SnBr6]2-. The overall results are consistent with the experimental ones and group theory analysis, but also clearly show extra features that suggest disorder of the methyl groups of TMA.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Akram Mhiri, Firas Krichen, Abderrazek Oueslati, Jerome Lhoste, François Goutenoire, Mohamed Gargouri, Alain Bulou,