化学学报 ›› 1983, Vol. 41 ›› Issue (11): 977-984.    下一篇

研究论文

乙硼烷的简正振动频率和光谱熵

洪品杰;伍宗敏   

  1. 云南大学化学系
  • 发布日期:1983-11-15

The frequencies of the normal vibration and spectral entropy of diborane

HONG PINJIE;WU ZONGMIN   

  • Published:1983-11-15

关键词: 熵, 乙硼烷, 振动频率, 微扰论, CORIOLIS 微扰

The effect of Coriolis perturbation on the vibrational levels are discussed by means of the group theory. It is considered as reasonable that the fundamental \n\9 was assigned to 950cm-1 on the basis of analyzing the cause for the failure to observe \n\9 in the vapor and the influence of Coriolis perturbation. The direct summation has been used for the calculation of the rotational and vibrational partition functions, assuming the non-rigid rotator -- harmonic oscillator approximation. The calculated values of spectral entropy for 10B2H6 and 11B2H6 are given in the range 100-2500 K. The results show that the higher the rotational levels are, the more remarkable the changes introduced by centrifugal distortion are as compared with the rigid rotator.

Key words: ENTROPY, DIBORANE, FREQUENCY OF VIBRATION, PERTURBATION THEORY, CORIOLIS PERTURBATION

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