Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids
Тип публикации: Journal Article
Дата публикации: 2019-06-04
scimago Q2
wos Q1
БС1
SJR: 0.633
CiteScore: 5.6
Impact factor: 3.4
ISSN: 15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Краткое описание
Crystallization of different biological targets and pharmaceuticals from ionic liquids (ILs) could result in previously unknown polymorph modifications. Crystallization of high-energy materials (HEMs) from ILs has not been studied so far. This paper is devoted to the first attempts to crystallize a highly energetic compound—2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW or CL-20) from different ILs. However, instead of the possible polymorphs these investigations unexpectedly resulted in multicomponent crystal solvates containing an HNIW molecule and anions and cations of two ILs—1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]). Their structure was determined by single-crystal X-ray diffraction analysis. The HNIW molecule in both structures adopts different but the most common conformations, similar to the β- and γ-polymorphs of the pure HNIW. Crystal packing was analyzed in terms of extended Hirshfeld surface a...
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Fedyanin I. V. et al. Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids // Crystal Growth and Design. 2019. Vol. 19. No. 7. pp. 3660-3669.
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Fedyanin I. V., Lyssenko K. A., Fershtat L. L., Muravyev N., Muravyev N. V., Makhova N. N. Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids // Crystal Growth and Design. 2019. Vol. 19. No. 7. pp. 3660-3669.
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TY - JOUR
DO - 10.1021/acs.cgd.8b01835
UR - https://pubs.acs.org/doi/10.1021/acs.cgd.8b01835
TI - Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids
T2 - Crystal Growth and Design
AU - Fedyanin, Ivan V.
AU - Lyssenko, Konstantin A.
AU - Fershtat, Leonid L.
AU - Muravyev, Nikita
AU - Muravyev, Nikita V
AU - Makhova, Nina N.
PY - 2019
DA - 2019/06/04
PB - American Chemical Society (ACS)
SP - 3660-3669
IS - 7
VL - 19
SN - 1528-7483
SN - 1528-7505
ER -
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@article{2019_Fedyanin,
author = {Ivan V. Fedyanin and Konstantin A. Lyssenko and Leonid L. Fershtat and Nikita Muravyev and Nikita V Muravyev and Nina N. Makhova},
title = {Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids},
journal = {Crystal Growth and Design},
year = {2019},
volume = {19},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://pubs.acs.org/doi/10.1021/acs.cgd.8b01835},
number = {7},
pages = {3660--3669},
doi = {10.1021/acs.cgd.8b01835}
}
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Fedyanin, Ivan V., et al. “Crystal Solvates of Energetic 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane Molecule with [bmim]-Based Ionic Liquids.” Crystal Growth and Design, vol. 19, no. 7, Jun. 2019, pp. 3660-3669. https://pubs.acs.org/doi/10.1021/acs.cgd.8b01835.
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