红外表征含氟气体化合物1-氯-2,2-二氟乙烯和六氟-2-丁炔

Infrared Characterization of Fluorine-containing Gas of 1-Chloro-2,2-difluoroethylene Fluoride and Hexafluoro-2-butyne

按照文献的方法合成了1-氯-2，2-二氟乙烯和六氟-2-丁炔两种含氟气体，并首次报道了其IR光谱．采用密度泛函理论计算得到的红外数据与实验测得的红外数据在吸收峰位置和吸收强度两方面都-致。并且在理论计算的基础上首次9-3属了实验得到的含氟烯烃1-氯-2．2-二氟乙烯和含三氟甲基的炔烃六氟-2-丁炔这两个含氟气体化合物在中红外（4000～400）cm-，内各官能团振动的红外吸收峰，同时也详细的归属了1-氯-2，2-二氟乙烯和六氟-2-丁炔中各含氟官能团的不同振动形式及其吸收峰的位置。

The infrared spectroscopy of fluorinated gas compounds that were 1-chloro-2, 2- difluoroethylene and hexafluoro-2-butyne were firstly reported, the methods of the synthesis of 1-chloro-2,2-difluoroethylene and hexafluoro-2-butyne were in accordance with the literature. With a classic method of density functional theory, the two respects infrared data of the absorption peak position and absorption intensity of the calculated data and measured data were consistency. Based on the calculation, every groups vibration infrared absorption peak of 1-chloro-2, 2-difluoroethylene and hexafluoro-2-butyne in mid infrared 400-4000 cm^-1 firstly were belonged to, and the different vibration forms and the infrared absorption peak of fluorine-containing group of 1-chloro-2,2-difluoroethylene and hexafluoro-2-butyne were determined in detail.