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：1977
卷号：74
期号：2
页码：410-413
DOI：10.1073/pnas.74.2.410
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：Ab initio self-consistent field and configuration interaction calculations are presented for the methyl radical and anion. The methyl radical is shown to be planar (D3h), while the anion is pyramidal (C3v). The methyl anion is unstable with respect to the limit of CH3 plus an electron by 2-8 kcal/mole. Potential curves for the out-of-plane bending motions of both molecules are presented.
