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Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method

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Abstract

The molecular structure of 1,2,3-trimethyldiaziridine has been determined from the gas-phase electron diffraction data supplemented spectral and quantum chemical calculations. The configuration of studied compound incorporates trans-position of methyl groups attached to nitrogen atoms of diaziridine cycle. The following principal structural parameters were determined (rh1 bond lengths in Å, bond angles in degrees with 3σ in parentheses): r(N–C), 1.489(9); r(N–N), 1.480(15); r(C–C), 1.503(15); ∠NCN, 61.5(9); ∠(H3C)CN, 124.0(15). The obtained structural parameters of 1,2,3-trimethyldiaziridine were compared with those for structural analogues. The gaseous standard enthalpy of formation of 1,2,3-trimethyldiaziridine was estimated to be 176.2 ± 5.0 kJ/mol.

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Authors and Affiliations

  1. Chemistry Department, Lomonosov Moscow State University, Leninsky Gory 1, Moscow, Russian Federation, 119991

    Ilya I. Marochkin, Anatolii N. Rykov & Igor F. Shishkov

  2. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prosp, Moscow, Russian Federation, 119991

    Vladimir V. Kuznetsov & Nina N. Makhova

Authors
  1. Ilya I. Marochkin
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  2. Vladimir V. Kuznetsov
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  3. Anatolii N. Rykov
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  4. Nina N. Makhova
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  5. Igor F. Shishkov
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Correspondence to Ilya I. Marochkin.

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Marochkin, I.I., Kuznetsov, V.V., Rykov, A.N. et al. Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method. Struct Chem 30, 457–464 (2019). https://doi.org/10.1007/s11224-018-1213-2

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