【摘 要】
：
用傅立叶变换光谱仪和光学长程装置,记录了CH2C12分子振动量子数v=1～4的红外吸收光谱(1200～12000 cm-1),归属出CH的伸缩(v1,v6)振动和弯曲(v2)振动和CH2基团相对于CCl2基团的摇
【机 构】
：
中国科学院选键化学重点实验室,中国科学技术大学国家同步辐射实验室,安徽中医学院基础部信息教研室
论文部分内容阅读
用傅立叶变换光谱仪和光学长程装置,记录了CH2C12分子振动量子数v=1～4的红外吸收光谱(1200～12000 cm-1),归属出CH的伸缩(v1,v6)振动和弯曲(v2)振动和CH2基团相对于CCl2基团的摇摆振动(v8)的泛频和合频能级共47个.考虑了摇摆振动与伸缩和弯曲振动的耦合,使用简正模模型对v1,v2,v6和v8这四种振动模式的泛频和合频能级进行了拟合,得到了非谐性常数和费米(Fermi)共振和达宁-丹尼生(Darling-Dennison)共振系数.结果表明,摇摆振动与伸缩振动之间的Fermi共振(k188=-254.63 cm-1)大于弯曲振动与伸缩振动之间的Fermi共振(k122=-54.87 cm-1);伸缩振动之间的DarlingDennison共振(k1166=-215.28 cm-1)大于弯曲振动与摇摆振动之间的Darling-Dennison共振(k2288=-5.72 cm-1).用拟合得到的光谱参数计算出CH2C12分子的振动能级,与实验数据很好地符合.
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