文章基本信息

标题：The Energy of Substituted Ethanes. Asymmetry Orbitals
本地全文：下载
作者：Lionel Salem ; Roald Hoffmann ; Peter Otto 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：1973
卷号：70
期号：2
页码：531-532
DOI：10.1073/pnas.70.2.531
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：The leading terms in the energy of a general substituted ethane are derived in explicit form as a function of the torsional angle{theta} , the substituent electronegativities, and their mutual overlaps. The energy is found to be the sum of all four overlaps between pairs of asymmetry orbitals, and satisfies the requisite symmetry properties.
关键词：ethane torsion ; molecular orbital theory ; diastereoisomers