Bulletin of the Korean Chemical Society

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

  • Published : 1991.06.20
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Abstract

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.

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