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Structures and energies of C4H22+

✍ Scribed by Koop Lammertsma; John A. Pople; Paul Von Ragué Schleyer

Book ID
119116693
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
101 KB
Volume
138
Category
Article
ISSN
0166-1280

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✍ Jayaraman Chandrasekhar; Paul Von Ragué Schleyer; Karsten Krogh-Jespersen 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 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

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✍ Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 496 KB