Author/Authors
Bilge, Metin Ege University - Science Faculty - Department of Physics, Turkey , Parlak, Cemal Dumlupınar University - Faculty of Arts and Sciences - Department of Physics, Turkey
Title Of Article
Theoretical Investigation of Vibrational Frequencies for Tetrabromopalladate (II) Ion
شماره ركورد
35938
Abstract
The normal mode frequencies and corresponding vibrational assignments of tetrabromopalladate (II) ion ([Pd(Br)4]2-) have been theoretically examined by means of standard quantum chemical technique. All normal modes have been successfully assigned utilizing the D4h symmetry of [Pd(Br)4]2-. Calculation has been performed at the Becke-3-Lee-Yang-Parr (B3LYP) density functional method using the Lanl2dz basis set. Infrared intensities and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against available experimental data.
From Page
216
NaturalLanguageKeyword
[Pd(Br)4]2 , , DFT , vibrational assignment , normal mode frequency , Lanl2dz
JournalTitle
Süleyman Demirel University Faculty of Arts and Science Journal of Science
To Page
219
JournalTitle
Süleyman Demirel University Faculty of Arts and Science Journal of Science
Link To Document