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
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.
NaturalLanguageKeyword :
[Pd(Br)4]2 , , DFT , vibrational assignment , normal mode frequency , Lanl2dz
JournalTitle :
Süleyman Demirel University Faculty of Arts and Science Journal of Science
