Interest is increasing in the preparation, chemistry, and unusual bonding properties of pyramidal carbonium ions, fascinating newcomers to the nonclassical group. l-8 Representatives of two possible types of these ions, (CH)5, \_, 2+ + 1 and (CH)6 , 2, have already entered the recent literature. The
Structure and charge distribution of the (CH)62+ dication
β Scribed by H.T. Jonkman; W.C. Nieuwpoort
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- French
- Weight
- 166 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0040-4039
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π SIMILAR VOLUMES
## Abstract The dication C~2~H has been investigated by __ab initio__ molecular orbital theory. It is found to have a linear (__D__~β__h__~), structure with a triplet (^3^Ο^β^~__g__~) ground state. Deprotonation to C~2~H^+^ is exothermic by 9.8 kcal/mol, but this process is hindered by a large barr
Spin-restricted Hartree-Fock molecular orbitals calculations have been performed for Ck ( -6 d n Q + 6) at a MNDO type semi-empirical level based on the PM3 parameterization. The optimized geometries reveal interesting variations in bond lengths. The neutral molecule and the triplet states of the tw