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卤代烷烃的交叉构象的计数
引用本文:王建基,李汝雄,张玉喜.卤代烷烃的交叉构象的计数[J].物理化学学报,2001,17(5):465-470.
作者姓名:王建基  李汝雄  张玉喜
作者单位:Department of Chemical Engineering, Beijing Petro chemical Engineering Institute, Beijing 102600
摘    要:1969年,Derek Bardon和Odd Hassel由于在构象分析方面取得的成就获得诺贝尔化学奖,从此,构象研究十分活跃,随后,有机分子的交叉构象计数的研究也开始了(尽管此前已经有人做出过重要的工作),发现烷烃的交叉构象数与其一些物理性质有关,如光谱,粘度等。

关 键 词:卤代烷烃  交叉构象  计数  母函数  图论  
收稿时间:2000-10-17
修稿时间:2000年10月17

Enumeration of Staggered Conformations of Polyhaloalkanes
WANG Jian-ji,LI Ru-xiong,ZHANG Yu-xi.Enumeration of Staggered Conformations of Polyhaloalkanes[J].Acta Physico-Chimica Sinica,2001,17(5):465-470.
Authors:WANG Jian-ji  LI Ru-xiong  ZHANG Yu-xi
Institution:Department of Chemical Engineering, Beijing Petro chemical Engineering Institute, Beijing 102600
Abstract:By defining a polyhaloalkyl and a polyhaloalcohol, using recurrence method, the generating functions for counting staggered conformations of polyhaloalkyls and polyhaloalcohols have been obtained. The numerical results in Table 1- 3 are given.   According to the results obtained, using graph-theoretical method, the generating functions for counting staggered conformations of polyhaloalkanes have been devived. Some numerical results are given in Table 4.   Furthermore, the staggered conformations of polyhaloalkanes according to their symmetry groups have been classified and the generating function of counting the staggered conformations belong to each group have been derived. The numerical results are given in Table 5.
Keywords:Polyhaloalkanes  Staggered conformations  Enumeration  Generating function  Graph theory
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