物理化学学报 >> 1989, Vol. 5 >> Issue (05): 587-589.doi: 10.3866/PKU.WHXB19890515

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二苯醚的势能面与构象研究

唐明生*; 陈镇东; 戴萃辰   

  1. 郑州大学化学系; 中国科学院化学研究所
  • 收稿日期:1988-03-05 修回日期:1988-07-30 发布日期:1989-10-15
  • 通讯作者: 唐明生

THE STUDEIS ON THE RETATION POTENTIAL SURFACE AND CONFIGURATION OF DIPHENYL ETHER

Tang Mingsheng*; Chen Zhendong; Dai Cuichen   

  1. Department of Chemistry, Zhengzhou University; Institute of Chemistry, Academia Sinica
  • Received:1988-03-05 Revised:1988-07-30 Published:1989-10-15
  • Contact: Tang Mingsheng

Abstract: The molecular configuration of diphenyl ether has been studied by MNDO method, The most stable configuration of diphenyl ether was obtained by means of optimization of molecular geometric configuration. The rotational potential surface describing internal rotation about the two C—O bond of diphenyl ether was drawn. The calculated results show that the minimum of the rotation potential surface is at θ=φ=65°, ∠COC=120.46° and the two benzene rings are easy to rotate about the two C—O bond within certain range. The three configurations which had been considered as the most stable configuration are discussed in this paper.