2,2,2-三氯乙基·甲基醚的红外和Raman光谱及其振动归属

Infrared and Raman Spectra of 2,2,2-Trichloroethyl Methyl Ether and Its Vibrational Assignment

本文给出2,2,2-三氯乙基·甲基醚的红外(3500—40cm^(-1))和 Raman(3500—50cm^(-1))光谱以及液相 Raman 谱退偏比的首次实验数据.利用修正价力场的正则坐标计算完成了两种构型的正则模式和势能分布的计算,从而做出频率的振动归属.由红外谱线606(反式)和573cm^(-1)(旁式)相对强度随温度变化的关系求出平均热函差为161±11cm^(-1)(1922±134J/mol),证明两种构型中反式较旁式稳定.

The infrared (3500 to 40 cm^-1) and Raman spectra (3500 to 50 cm^(-1)) have beenrecorded for 2,2,2-trichloroethyl methyl ether.Additionally,the Raman spectra in theliquid phase have been obtained and quantitative depolarization ratios have beenmeasured.A complete vibration assignment is presented for the trans conformer basedon group frequencies and depolarization values.Furthermore,the vibrational assignmentis supported a normal-coordinate analysis utilizing a modified valence force field tocalculate the normal modes and potential energy distribution for both conformers.Fromthe relative intensities of the infrared line at 606 (trans) and 573 cm^(-1) (gauche) as afunction of temperature the energy enthalpy difference was found to be 161±11 cm^(-1)(1922±134 J/mol) with the trans conformer being more stable.