Pt(CN)42- İYONUNUN TİTREŞİM FREKANSLARI VE YAPISAL İNCELEMESİ
Makaleler > Tam Makale · 2014
Yazarlar: Cemal PARLAK, Metin BİLGE
DergiPark (Istanbul University), Uluslararası, 2014
Özet
The normal mode frequencies and corresponding vibrational assignments of Pt(CN) 4 2-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 (CN and Pt-C stretching, Pt-CN in plane and out of plane bending, C-Pt-C in plane and out of plane bending) utilizing the D 4h symmetry of Pt(CN) 4 2-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.