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) |
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Pages (from-to) | 4984-4988 |
Number of pages | 5 |
Journal | Angewandte Chemie - International Edition |
Volume | 45 |
Issue number | 30 |
DOIs | |
State | Published - Jul 24 2006 |
Keywords
- Ab initio
- Antiaromaticity
- Calculations
- Cyclobutadiene
- Mass spectrometry
- Thermodynamics