Jensen James O
US Army Edgewood Chemical and Biological Center, Aberdeen Proving Ground, MD 21010-5424, USA.
Spectrochim Acta A Mol Biomol Spectrosc. 2004 Sep;60(11):2541-5. doi: 10.1016/j.saa.2003.12.033.
The normal mode frequencies and corresponding vibrational assignments of tetrafluoroformaldazine (F(2)CNNCF(2)) are examined theoretically using the Gaussian98 set of quantum chemistry codes. Each of the vibrational modes was assigned to one of nine types of motion predicted by a group theoretical analysis (C-F stretch, C[triple bond]N stretch, N-N stretch, C=C-N bend, CF(2) wag, CF(2) rock CF(2) scissors, CF(2) twist, and C=N-N=C torsion) utilizing the C(2h) symmetry of the molecule. Uniform scaling factors was derived for each type of motion. Predicted infrared and Raman intensities are reported.
使用高斯98量子化学程序集对四氟甲二嗪（F₂CNNCF₂）的正常模式频率和相应的振动归属进行了理论研究。利用分子的C₂h对称性，通过群论分析预测的九种运动类型（C-F伸缩、C≡N伸缩、N-N伸缩、C=C-N弯曲、CF₂摇摆、CF₂摆动、CF₂剪刀式振动、CF₂扭转和C=N-N=C扭转）中的每一种振动模式都被进行了归属。为每种运动类型推导了统一的标度因子。报告了预测的红外和拉曼强度。
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