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Structures, energies, and modes of interconversion of C4H7+ ions

✍ Scribed by Saunders, Martin.; Laidig, Keith E.; Wiberg, Kenneth B.; Schleyer, Paul v. R.


Book ID
126770379
Publisher
American Chemical Society
Year
1988
Tongue
English
Weight
963 KB
Volume
110
Category
Article
ISSN
0002-7863

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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