Vibrational frequencies and structural determination of phosphorous tricyanide |
| |
Authors: | Jensen James O |
| |
Institution: | US Army Edgewood Chemical and Biological Center, Aberdeen Proving Ground, MD 21010-5424, USA. jim.jensen@us.army.mil |
| |
Abstract: | The normal mode frequencies and corresponding vibrational assignments of phosphorous tricyanide (P(CN)(3)) are examined theoretically using the Gaussian98 set of quantum chemistry codes. Each of the vibrational modes was assigned to one of four types of motion predicted by a group theoretical analysis P-C stretch, CN stretch, P-Ctriple bond]C bend, and C-P-C bend) utilizing the C(3v) symmetry of the molecule. A uniform scaling factor was derived for each type of motion. Predicted infrared and Raman intensities are reported. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|