Mendeleev Communications
,  том 32 ,  издание 4 ,  страницы 474-477

Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study

Тип публикации: Journal Article
Дата публикации: 2022-07-01
scimago Q3
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БС1
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
ISSN: 09599436, 1364551X
General Chemistry
Краткое описание
The molecular structure and conformational composition of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane were determined by gas phase electron diffraction and quantum chemical calculations. The gas phase electron diffraction data were well reproduced for the mixture of two conformers with anti-boat and gauche-boat mutual ring orientation having 15 and 85% relative abundance, respectively. The standard enthalpy of formation of substance under study was calculated using atomization reactions, yielding value of 307.9 ± 3.3 kJ mol -1 in gas phase.
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Marochkin I. I. et al. Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study // Mendeleev Communications. 2022. Vol. 32. No. 4. pp. 474-477.
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Marochkin I. I., Altova E. P., Kuznetsov V. V., Rykov A. N., Shishkov I. F. Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study // Mendeleev Communications. 2022. Vol. 32. No. 4. pp. 474-477.
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TY - JOUR
DO - 10.1016/j.mencom.2022.07.015
UR - https://doi.org/10.1016/j.mencom.2022.07.015
TI - Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study
T2 - Mendeleev Communications
AU - Marochkin, Ilya I
AU - Altova, Ekaterina P
AU - Kuznetsov, V. V.
AU - Rykov, Anatolii N
AU - Shishkov, Igor F.
PY - 2022
DA - 2022/07/01
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 474-477
IS - 4
VL - 32
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2022_Marochkin,
author = {Ilya I Marochkin and Ekaterina P Altova and V. V. Kuznetsov and Anatolii N Rykov and Igor F. Shishkov},
title = {Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study},
journal = {Mendeleev Communications},
year = {2022},
volume = {32},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {jul},
url = {https://doi.org/10.1016/j.mencom.2022.07.015},
number = {4},
pages = {474--477},
doi = {10.1016/j.mencom.2022.07.015}
}
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Marochkin, Ilya I., et al. “Molecular structure of 6-cyclopropyl-1,5-diazabicyclo[3.1.0]hexane: gas phase electron diffraction and theoretical study.” Mendeleev Communications, vol. 32, no. 4, Jul. 2022, pp. 474-477. https://doi.org/10.1016/j.mencom.2022.07.015.