Wang Juan, Chen Junhua, Feng Gang, Xia Zhining, Gou Qian
Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331 Chongqing, China.
Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331 Chongqing, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2018 Mar 15;193:447-450. doi: 10.1016/j.saa.2017.12.062. Epub 2017 Dec 21.
The rotational spectrum of the van der Waals complex formed between 1-chloro-1,1-difluoroethane and argon has been investigated by using a pulsed jet Fourier transform microwave spectrometer. Only one set of rotational transitions belonging to the lowest energy conformer has been observed and assigned, although theoretical calculations suggest six stable conformers that might be observed. The observed conformer, according to the experimental evidence from two isotopologues (Cl and Cl), adopts a configuration in which the argon atom is located, close to the CFCl top, between the CCF and CCCl planes (the dihedral angle ∠ArCCCl is 65.2°). The distance between argon atom and the center of mass of CHCFCl is 3.949(2) Å. The dissociation energy, with pseudo diatomic approximation, is evaluated to be 2.4kJmol.
利用脉冲喷射傅里叶变换微波光谱仪研究了1-氯-1,1-二氟乙烷与氩形成的范德华复合物的转动光谱。尽管理论计算表明可能会观察到六种稳定构象,但仅观察到并归属了一组属于最低能量构象体的转动跃迁。根据来自两种同位素异构体(Cl和Cl)的实验证据,观察到的构象体采用的构型是,氩原子位于靠近CFCl顶部、在CCF和CCCl平面之间(二面角∠ArCCCl为65.2°)。氩原子与CHCFCl质心之间的距离为3.949(2) Å。采用准双原子近似法评估的解离能为2.4kJmol。