Open Access
Chemical Science, volume 9, issue 13, pages 3367-3375
Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks
Publication type: Journal Article
Publication date: 2018-02-28
Journal:
Chemical Science
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 8.4
ISSN: 20416520, 20416539
General Chemistry
Abstract
Pentazolate is the ultimate all-nitrogen, inorganic member of the azolate series of aromatic 5-membered ring anions. As an azolate ligand, it has the potential to form open framework structures with metal ions, that would be inorganic analogues of azolate metal-organic frameworks formed by its congeners. However, while the low stability and elusive nature of the pentazolate ion have so far prevented the synthesis of such frameworks, computational studies have focused on pentazolate exclusively as a ligand that would form discrete metallocene structures. Encouraged by the recent first isolation and structural characterization of pentazolate salts and metal complexes stable at ambient conditions, we now explore the role of pentazolate as a framework-forming ligand. We report a computational periodic density-functional theory evaluation of the energetics and topological preferences of putative metal pentazolate frameworks, which also revealed a topologically novel framework structure.
Top-30
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Citations by publishers
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American Chemical Society (ACS)
15 publications, 37.5%
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Wiley
10 publications, 25%
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9 publications, 22.5%
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Elsevier
2 publications, 5%
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Frontiers Media S.A.
1 publication, 2.5%
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International Union of Crystallography (IUCr)
1 publication, 2.5%
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Taylor & Francis
1 publication, 2.5%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 2.5%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Arhangelskis M. et al. Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks // Chemical Science. 2018. Vol. 9. No. 13. pp. 3367-3375.
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Arhangelskis M., Katsenis A., Morris A. J., Friscic T. Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks // Chemical Science. 2018. Vol. 9. No. 13. pp. 3367-3375.
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TY - JOUR
DO - 10.1039/c7sc05020h
UR - https://doi.org/10.1039/c7sc05020h
TI - Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks
T2 - Chemical Science
AU - Arhangelskis, Mihails
AU - Katsenis, Athanassios
AU - Morris, Andrew J
AU - Friscic, Tomislav
PY - 2018
DA - 2018/02/28 00:00:00
PB - Royal Society of Chemistry (RSC)
SP - 3367-3375
IS - 13
VL - 9
SN - 2041-6520
SN - 2041-6539
ER -
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@article{2018_Arhangelskis,
author = {Mihails Arhangelskis and Athanassios Katsenis and Andrew J Morris and Tomislav Friscic},
title = {Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks},
journal = {Chemical Science},
year = {2018},
volume = {9},
publisher = {Royal Society of Chemistry (RSC)},
month = {feb},
url = {https://doi.org/10.1039/c7sc05020h},
number = {13},
pages = {3367--3375},
doi = {10.1039/c7sc05020h}
}
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Arhangelskis, Mihails, et al. “Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks.” Chemical Science, vol. 9, no. 13, Feb. 2018, pp. 3367-3375. https://doi.org/10.1039/c7sc05020h.