低温相HI分子晶体振动光谱计算  

A Calculation of the Vibrational Spectroscopy of Crystalline Hydrogen Iodide

作　　者：毛延哲[1] 曾维扬[2] 

机构地区：[1]兰州医学院基础部 [2]兰州大学物理系

出　　处：《光散射学报》1998年第1期17-22,共6页The Journal of Light Scattering

摘　　要：本文用弹性力常数模型计算了低温相ＨＩ晶体的振动光谱。利用９个可调参数计算出３７个晶格模式和８个内部模式晶场分裂谱线频率，结果与实验值甚符合，同时结合群论分析对晶体拉曼和红外光谱进行了全面指认，计算还给出晶体中各类相互作用力参数。A force constants model is applied to the vibrations of HI at low temperatures in this paper. The approach treats both the intermolecular lattice interactions and internal molecular interactions in a unified manner and leads to calculated values of not only the lattice frequencies but also the crystal field splitting of the internal modes for comparison with experimental spectroscopic data. Nine adjustable parameters (one intramolecular and eight intermolacular ones) to calculate the frequencies of thirty seven lattice and eight components of internal modes. The results are in agreement with RAMAN and IR spectra data. Principal intermolecular interactions are identified.

关 键 词：晶体振动光谱 弹性力常数模型 碘化氢分子晶体 

分 类 号：O561.3[理学—原子与分子物理] O734[理学—物理]