引用本文:
唐明生*, 陈镇东, 戴萃辰. 二苯醚的势能面与构象研究[J]. 物理化学学报,
1989, 5(05): 587-589.
doi:
10.3866/PKU.WHXB19890515
Citation: Tang Mingsheng*, Chen Zhendong, Dai Cuichen. THE STUDEIS ON THE RETATION POTENTIAL SURFACE AND CONFIGURATION OF DIPHENYL ETHER[J]. Acta Physico-Chimica Sinica, 1989, 5(05): 587-589. doi: 10.3866/PKU.WHXB19890515
Citation: Tang Mingsheng*, Chen Zhendong, Dai Cuichen. THE STUDEIS ON THE RETATION POTENTIAL SURFACE AND CONFIGURATION OF DIPHENYL ETHER[J]. Acta Physico-Chimica Sinica, 1989, 5(05): 587-589. doi: 10.3866/PKU.WHXB19890515
二苯醚的势能面与构象研究
English
THE STUDEIS ON THE RETATION POTENTIAL SURFACE AND CONFIGURATION OF DIPHENYL ETHER
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.
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