Abstract
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Abstract
The normal mode frequencies and corresponding vibrational assignments of Pt(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 (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 Pt(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.
Details
| Primary Language | Turkish |
|---|---|
| Subjects | Engineering |
| Journal Section | Research Articles |
| Authors | |
| Publication Date | June 1, 2010 |
| Submission Date | March 14, 2014 |
| Published in Issue | Year 2010 Volume: 14 Issue: 1 |
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