## Abstract Using a modified Extended __HΓΌckel__ (S. C. C.) procedure the structure of the ferrocenylβmethyl cation has been calculated. The result is a structure (V) with about equal overlap population between all Feο£ΏC bonds. The methylene group is bent towards the iron atom and both rings are til
β¦ LIBER β¦
The non-planar structure of the triplet methyl cation
β Scribed by J.A. Pople; P. von R. Schleyer
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 218 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
In accord wth quahtallve arguments based on Walsh dugrams. the equtibnum structure of the tnplet methyl atIon s found to be non-planner by ab mitio molecule orbiti theory. The mvcrs~on barrier is prcdlctcd to be 4 9 kdmol
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