The structure of the homotropenylium cation
β Scribed by Robert C. Haddon
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- French
- Weight
- 209 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0040-4039
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Zero kinetic energy photoelectron spectroscopy is combined with triple-resonant multiphoton absorption to obtain the first experimental measurement of the fundamental vibrational frequencica of isolated NOtI Analysis of observed vibrational structure yields values for the quadratic force constants i
## 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
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