Utility of Raman Data in Studying Substituted Amines and Hydrazines  

作　　者：DURIG James R 

机构地区：[1]Department of Chemistry, University of Missouri-Kansas City Kansas City

出　　处：《光散射学报》2003年第4期217-230,共14页The Journal of Light Scattering

摘　　要：By utilizing the Raman spectra of gases, it is frequently possible to provide sufficient data to unequivocally assign the fundamental and several hot bands of the two torsional modes of two coupled methyl rotors which is illustrated by the Raman spectrum of gaseous dimethylamine. From these data V03 = V30, V33 and V′33 terms have been obtained and their values are compared to those obtained from MP2/6-31G（d） ab initio calculations. Also if one of the conformers of an amine or hydrazine has a plane of symmetry and another one has no symmetry, it can be possible to determine the origin of the observed amino torsional mode with excited states from the Raman spectrum, i.e., ethylamine is an example. Since the NH stretches of substituted amines and hydrazines are frequently very weak in the infrared spectrum, the Raman spectra are necessary for the assignment of these fundamentals. Studies are in progress to use the "isolated" NH stretching frequencies to obtain the r0 distances for amines and hydrazines.By utilizing the Raman spectra of gases, it is frequently possible to provide sufficient data to unequivocally assign the fundamental and several hot bands of the two torsional modes of two coupled methyl rotors which is illustrated by the Raman spectrum of gaseous dimethylamine. From these data V_(03) = V_(30), V_(33) and V′_(33) terms have been obtained and their values are compared to those obtained from MP2/6-31G(d) ab initio calculations. Also if one of the conformers of an amine or hydrazine has a plane of symmetry and another one has no symmetry, it can be possible to determine the origin of the observed amino torsional mode with excited states from the Raman spectrum, i.e., ethylamine is an example. Since the NH stretches of substituted amines and hydrazines are frequently very weak in the infrared spectrum, the Raman spectra are necessary for the assignment of these fundamentals. Studies are in progress to use the 'isolated' NH stretching frequencies to obtain the r_0 distances for amines and hydrazines.

关 键 词：拉曼光谱 联氨 构造稳定性 红外光谱 高斯型函数 

分 类 号：O657.37[理学—分析化学]