Dergiler / Sakarya University Journal of Science / 2010 / Cilt: 14 Sayı: 2
[Au(Br)4]- İYONUNUN TİTREŞİM FREKANSLARININ TEORİK OLARAK İNCELENMESİ
- Sayfa
- 116–118
- DOI
- —
Özet
The normal mode frequencies and corresponding vibrational assignments of tetrabromoaurate ion ([Au(Br)4]-) are theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Au(Br)4]-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz basis set. Infrared and Raman intensities or activities have also been calculated and reported. Theoretical results are successfully compared against available experimental data.
Abstract
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