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本文报导陆森红盐阴离子简正坐标分析及计算所得的一套力常数。由这套力常数所得的红外光谱波数的计算值与观察值吻合良好,加权平方偏差之和为0.223。根据对称内坐标和力常数的位能分布计算,进行了阴离子的红外光谱的归属。
This paper reports the simple coordinate analysis of Lucent red anions and a set of force constants. The calculated values of the infrared spectra obtained from this set of force constants agree well with the observations, and the sum of the weighted squared deviations is 0.223. According to the calculation of the potential energy distributions of the internal coordinates and the force constants, the anions’ IR spectra are assigned.