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在4000-100cm~(-1)范围内,研究了N,N’-二甲基甲酰胺(DMF)的福里埃变换红外光谱。在全简正坐标分析的基础上,应用NORVIB程序时DMF分子的振动频率做了指认。确定了包括伸缩、变角、面外振动、扭曲以及它们之间相互作用的29个力常数,这些力常数是在计算简正振动频率与实验值拟合优化后得到的,计算值与实验值之间的均方根偏差约为5.3cm~(-1).最后计算了振动的均方根振幅和原子位移。
The Fourier transform infrared spectroscopy of N, N’-dimethylformamide (DMF) was studied in the range of 4000-100cm ~ (-1). On the basis of full-scale positive coordinate analysis, the frequency of vibration of DMF molecule was confirmed by NORVIB program. 29 force constants including telescoping, variable angle, out-of-plane vibration, torsion and interaction between them were determined. These force constants were obtained after fitting the normal vibration frequencies to the experimental values. The calculated and experimental values The root mean square deviation is about 5.3cm ~ (-1) .Finally, the vibration root mean square amplitude and atomic displacement are calculated.