Article ID Journal Published Year Pages File Type
10155994 Journal of Alloys and Compounds 2019 42 Pages PDF
Abstract
The Raman and infrared spectra at room temperature are recorded in the wavenumber range 10-3600 cm−1 and 400-4000 cm−1, 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.
Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
Authors
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