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Can the H2+4 dication exist?

✍ Scribed by Mikhail N. Glukhovtsev; Paul von R. Schleyer; Koop Lammertsma

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
266 KB
Volume
209
Category
Article
ISSN
0009-2614

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On the existence of the protonated hydro
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The enthalpy of solvation in sulfolane of the gaseous protonated hydronium dication is estimated as -628 kcaYmo1 at 298 K. Using literature data, a value AW'= -2 12 kcal/mol is calculated for the reaction H,O+ +H+ +H,O'+ (in sulfolane), supporting the thermodynamic existence of H,02+ in sulfolane so

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High-level ab initio molecular-orbital calculations indicate that the only C2H4 2+ isomer likely to be observable in the gas phase is the perpendicular ethylene dication (1). Other C,H:+ isomers lie higher in energy with extremely small barriers for collapse to 1.