【摘要】 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。更多还原

【Abstract】 The Fourier transform infrared spectrum of N, N-dimethylformamide （DMF） has been investigated in the range from 4000 to 100cm^-1.Using our NORVIB program, the assignment of the frequencies of DMF has been made on the basis of complete normal coordinate analysis. Twenty nine force constants including stretching, bending, out-of-plane wagging, torsion and various interactions between them have been assigned and optimized by a least square fitting of the calculated normal mode vibrational frequencies with those found experimentally. The root mean square deviation between the calculated and the experimental values is about 5.3 cm^-1. The root mean square amplitude of vibrations and atomic displacement are also calculated.更多还原