volume 18 issue 1 pages 219-224

Cocrystal Engineering of a High Nitrogen Energetic Material

Publication typeJournal Article
Publication date2017-12-04
scimago Q2
wos Q1
SJR0.633
CiteScore5.6
Impact factor3.4
ISSN15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
Cocrystallization of energetic materials has emerged as a strategy to modulate properties through directed selection of coformers. Here, the cocrystallization of a high-nitrogen energetic material, 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-s-tetrazine (BTATz), is detailed. The utility of electrostatic potential maps to predict the behavior of coformers with BTATz is demonstrated as well as a critical requirement for regions of sufficiently negative electrostatic potential on the coformer (Vs,min). Cocrystal structures are compared to the solvent-free structure of BTATz, determined here for the first time. The new materials exhibit good thermal stability (>200 °C) and are insensitive to impact. Cocrystallization of BTATz demonstrates the capability of high-nitrogen energetic materials to form multicomponent crystal systems and reaffirms the ability of coformers to modulate energetic performance.
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GOST |
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GOST Copy
Kent R. V. et al. Cocrystal Engineering of a High Nitrogen Energetic Material // Crystal Growth and Design. 2017. Vol. 18. No. 1. pp. 219-224.
GOST all authors (up to 50) Copy
Kent R. V., Wiscons R., Sharon P., Grinstein D., Frimer A. A., Matzger A. J. Cocrystal Engineering of a High Nitrogen Energetic Material // Crystal Growth and Design. 2017. Vol. 18. No. 1. pp. 219-224.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1021/acs.cgd.7b01126
UR - https://doi.org/10.1021/acs.cgd.7b01126
TI - Cocrystal Engineering of a High Nitrogen Energetic Material
T2 - Crystal Growth and Design
AU - Kent, Rosalyn V
AU - Wiscons, Ren
AU - Sharon, Pessia
AU - Grinstein, Dan
AU - Frimer, Aryeh A
AU - Matzger, Adam J.
PY - 2017
DA - 2017/12/04
PB - American Chemical Society (ACS)
SP - 219-224
IS - 1
VL - 18
SN - 1528-7483
SN - 1528-7505
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2017_Kent,
author = {Rosalyn V Kent and Ren Wiscons and Pessia Sharon and Dan Grinstein and Aryeh A Frimer and Adam J. Matzger},
title = {Cocrystal Engineering of a High Nitrogen Energetic Material},
journal = {Crystal Growth and Design},
year = {2017},
volume = {18},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.cgd.7b01126},
number = {1},
pages = {219--224},
doi = {10.1021/acs.cgd.7b01126}
}
MLA
Cite this
MLA Copy
Kent, Rosalyn V., et al. “Cocrystal Engineering of a High Nitrogen Energetic Material.” Crystal Growth and Design, vol. 18, no. 1, Dec. 2017, pp. 219-224. https://doi.org/10.1021/acs.cgd.7b01126.
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