Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution
A. A. Korlyukov
1
,
M. Yu. Antipin
1
,
M I Buzin
1
,
E A Zelbst
2
,
Yu I Bolgova
3
,
O.M Trofimova
3
,
M. G. Voronkov
3
1
2
Irkutsk State Pedagogical University, Irkutsk, Russia
|
Publication type: Journal Article
Publication date: 2009-10-01
scimago Q4
wos Q4
SJR: 0.211
CiteScore: 1.9
Impact factor: 1.4
ISSN: 00224766, 15738779
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Using X-ray diffraction the presence of two phases of 1-fluorosilatrane (FSa) is stated and the specific features of their spatial structure are studied. Phase transition occurs at 156–158 K and is characterized by low energy. In the low-temperature phase, four crystallographically independent molecules are ordered, while in the high-temperature phase one of two independent molecules has disordered carbon β-atoms. A quantum chemical analysis of crystal packing in the low-temperature FSa phase is performed. The estimated value of the coordination N→Si bond strength in the crystal is 29.2 kcal/mol. The charge distribution indicates the localization of valence electron density around the O3SiF fragment.
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Korlyukov A. A. et al. Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution // Journal of Structural Chemistry. 2009. Vol. 50. No. 5. pp. 873-879.
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Korlyukov A. A., Antipin M. Y., Buzin M. I., Zelbst E. A., Bolgova Yu. I., Trofimova O., Voronkov M. G. Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution // Journal of Structural Chemistry. 2009. Vol. 50. No. 5. pp. 873-879.
Cite this
RIS
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TY - JOUR
DO - 10.1007/s10947-009-0130-z
UR - https://doi.org/10.1007/s10947-009-0130-z
TI - Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution
T2 - Journal of Structural Chemistry
AU - Korlyukov, A. A.
AU - Antipin, M. Yu.
AU - Buzin, M I
AU - Zelbst, E A
AU - Bolgova, Yu I
AU - Trofimova, O.M
AU - Voronkov, M. G.
PY - 2009
DA - 2009/10/01
PB - Pleiades Publishing
SP - 873-879
IS - 5
VL - 50
SN - 0022-4766
SN - 1573-8779
ER -
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BibTex (up to 50 authors)
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@article{2009_Korlyukov,
author = {A. A. Korlyukov and M. Yu. Antipin and M I Buzin and E A Zelbst and Yu I Bolgova and O.M Trofimova and M. G. Voronkov},
title = {Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution},
journal = {Journal of Structural Chemistry},
year = {2009},
volume = {50},
publisher = {Pleiades Publishing},
month = {oct},
url = {https://doi.org/10.1007/s10947-009-0130-z},
number = {5},
pages = {873--879},
doi = {10.1007/s10947-009-0130-z}
}
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MLA
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Korlyukov, A. A., et al. “Molecular and crystal structure of two phases of 1-fluorosilatrane. Specific features of the electron density distribution.” Journal of Structural Chemistry, vol. 50, no. 5, Oct. 2009, pp. 873-879. https://doi.org/10.1007/s10947-009-0130-z.