The heat of formation of cyclobutadiene

Alireza Fattahi; Lev Lis; Zhixin Tian; Steven R. Kass

doi:10.1002/anie.200600839

The heat of formation of cyclobutadiene

Alireza Fattahi, Lev Lis, Zhixin Tian, Steven R. Kass

Chemistry (Twin Cities)

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48 Scopus citations

Abstract

How unstable can it be? Gas-phase measurements on the 3-cyclobutenyl cation were combined in a thermodynamic cycle to provide the first experimental determination of the heat of formation of cyclobutadiene (see scheme, IP = ionization potential, BDE = bond-dissociation energy). The resulting value of 428 ± 16 kJ mol^-1 is in good accord with previous predictions based upon similar energetic determinations of benzo- and phenylcyclobutadiene. (Figure Presented).

Original language	English (US)
Pages (from-to)	4984-4988
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	45
Issue number	30
DOIs	https://doi.org/10.1002/anie.200600839
State	Published - Jul 24 2006

Keywords

Ab initio
Antiaromaticity
Calculations
Cyclobutadiene
Mass spectrometry
Thermodynamics

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AU - Lis, Lev

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AU - Kass, Steven R.

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KW - Antiaromaticity

KW - Calculations

KW - Cyclobutadiene

KW - Mass spectrometry

KW - Thermodynamics

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The heat of formation of cyclobutadiene

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Keywords

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