High-level computational study on the thermochemistry of saturated and unsaturated three- and four-membered nitrogen and phosphorus rings
✍ Scribed by Mikhail N. Glukhovtsev; Robert D. Bach; Sergei Laiter
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 279 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
The heats of formation and strain energies for saturated and unsaturated three-and four-membered nitrogen and phosphorus rings have been calculated using G2 Ž . w Ž . x Ž . theory. G2 heats of formation ⌬ H of triaziridine NH , triazirine N H , f 298 3 3 wŽ . x Ž . y 1 tetrazetidine NH , and tetrazetine N H are 405.0, 453.7, 522.5, and 514.1 kJ mol , 4 4 2 Ž y 1 . respectively. Tetrazetidine is unstable 121.5 kJ mol at 298 K with respect to its Ž . dissociation into two trans-diazene N H molecules. The dissociation of tetrazetine into 2 2 Ž y1 molecular nitrogen and trans-diazene is highly exothermic ⌬ H s y308.3 kJ mol 298 3 y1 x Ž y1 . wŽ .