Carbodications. I. The structures and en
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Jayaraman Chandrasekhar; Paul Von RaguΓ© Schleyer; Karsten Krogh-Jespersen
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Article
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1981
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John Wiley and Sons
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English
β 393 KB
At high levels of ab initio theory (6-31G\*//4-31G), the most stable C4H:' isomer is indicated to be the nonplanar cyclobutadiene dication (la); the planar form, lb, is indicated to be 7.5 kcal/mol less stable. The second most stable C4Ha' isomer, the methylenecyclopropene dication, is indicated to