CBrF_3晶格振动光谱计算和分析  

LATTICE DYNAMICS OF BROMOTRIFLUOROMETHANE

作　　者：曾维扬[1] 

机构地区：[1]兰州大学物理系

出　　处：《光谱学与光谱分析》1996年第4期37-40,共4页Spectroscopy and Spectral Analysis

摘　　要：本文用弹性力模型计算了ＣＢｒＦ３晶体的振动光谱。利用１６个可调参数计算出２１个晶格模式和３６个内部模式晶体场分裂谱线频率，结果与实验值很符合。计算表明，晶体中分子间相互作用主要来自于卤族元素之间，且属范德华类型。The vibrations of crystalline bromotrifluoromethane at low temperature are calculated by a simple force constant model. Sixteen adjustable parameters (ten intermolecularones and six intramolecular ones)are used to obtaine the frequencies of twenty one latticemodes and thirty six components of internal modes. The results are in good agreement withrecent spectroscopic data. Principal interrnolecular interactions, primarily among variouspairs of halogen atoms, are identified and appear to be of the standard Van der Waals type.

关 键 词：散射谱 红外光谱 晶场 CBrF3 

分 类 号：O613.71[理学—无机化学] O657.37[理学—化学]