摘要
在4000—50cm^(-1)波段范围内测定了三羟甲基甲胺晶体分子的红外光谱和Raman光谱。采用简化的普遍价力场(SGVFF)进行了简正坐标分析。振动基频的计算值与观测值符合良好。两者平均偏差小于1.0％,证实了振动谱带的归属,确定了相应的力常数。最后讨论了谱带的归属问题和所得结果的合理性和可靠性。
The infrared and Raman spectra of the trihydroxymethylaminomethane have been measured from 4000 to 50cm-1. A simplified general valence field was used in a normal coordinate analysis. The calculated frequencies agree fairly with the observed ones, with a mean deviation less than 1.0%, thus confirming the assignments of the vibrational spectrum, determining the corre-spoding force constants. The assignments of the vibrational spectrum as well as the rationality and the reliability of the result are discussed.
