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Semiempirical MO Calculation of Hetero Atom Three-Membered Ring Compounds(II)${\cdot}$N-Nitroso-azirine and-diaziridine

  • Ki Woon Hwang
    • Bulletin of the Korean Chemical Society
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    • v.12 no.3
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    • pp.328-331
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    • 1991

  • Fully optimized MNDO molecular orbital calculations are performed for N-nitroso-azirine (Ⅰ) and-diaziridine (Ⅱ). The ground state geometries show the nonplanar configuration around the imino nitrogen. The nitroso group rotational energy barriers and the ring inversion energy barriers are also discussed.

  • https://doi.org/10.5012/bkcs.1991.12.3.328 인용 PDF