Pt(CN)42- İYONUNUN TİTREŞİM FREKANSLARI VE YAPISAL İNCELEMESİ

Authors : Cemal PARLAK, Metin BİLGE

Pages : 62-65

Doi:10.16984/saufbed.56550

View : 18 | Download : 10

Publication Date : 2010-06-01

Article Type : Research Paper

Abstract :The normal mode frequencies and corresponding vibrational assignments of Ptinsert ignore into journalissuearticles values(CN);42- ion have been theoretically examined by means of standard quantum chemical techniques. All normal modes have been assigned to one of six types of motion insert ignore into journalissuearticles values(CN and Pt-C stretching, Pt-CN in plane and out of plane bending, C-Pt-C in plane and out of plane bending); utilizing the D4h symmetry of Ptinsert ignore into journalissuearticles values(CN);42- ion. Calculations have been performed at HF, BLYP and B3LYP levels of theory using the Lanl2dz effective core basis set. Infrared intensities and Raman activities of vibrational frequencies have also been calculated. Theoretical results have been successfully compared against available experimental data.
Keywords : Titreşim işaretlemesi, Normal mod frekansı, Tetrasiyanoplatin II, iyon, DFT, Lanl2dz