Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method
Ilya I Marochkin
1
,
Vladimir V. Kuznetsov
2
,
Anatolii N Rykov
1
,
Nina N Makhova
2
,
Igor F Shishkov
1
Publication type: Journal Article
Publication date: 2018-10-30
scimago Q3
wos Q2
SJR: 0.341
CiteScore: 4.3
Impact factor: 2.2
ISSN: 10400400, 15729001
Physical and Theoretical Chemistry
Condensed Matter Physics
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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Marochkin I. I. et al. Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method // Structural Chemistry. 2018. Vol. 30. No. 2. pp. 457-464.
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Marochkin I. I., Kuznetsov V. V., Rykov A. N., Makhova N. N., Shishkov I. F. Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method // Structural Chemistry. 2018. Vol. 30. No. 2. pp. 457-464.
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TY - JOUR
DO - 10.1007/s11224-018-1213-2
UR - https://doi.org/10.1007/s11224-018-1213-2
TI - Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method
T2 - Structural Chemistry
AU - Marochkin, Ilya I
AU - Kuznetsov, Vladimir V.
AU - Rykov, Anatolii N
AU - Makhova, Nina N
AU - Shishkov, Igor F
PY - 2018
DA - 2018/10/30
PB - Springer Nature
SP - 457-464
IS - 2
VL - 30
SN - 1040-0400
SN - 1572-9001
ER -
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@article{2018_Marochkin,
author = {Ilya I Marochkin and Vladimir V. Kuznetsov and Anatolii N Rykov and Nina N Makhova and Igor F Shishkov},
title = {Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method},
journal = {Structural Chemistry},
year = {2018},
volume = {30},
publisher = {Springer Nature},
month = {oct},
url = {https://doi.org/10.1007/s11224-018-1213-2},
number = {2},
pages = {457--464},
doi = {10.1007/s11224-018-1213-2}
}
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MLA
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Marochkin, Ilya I., et al. “Molecular structure study of 1,2,3-trimethyldiaziridine by means of gas electron diffraction method.” Structural Chemistry, vol. 30, no. 2, Oct. 2018, pp. 457-464. https://doi.org/10.1007/s11224-018-1213-2.
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