Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks
Keyword(s):
We report a periodic density-functional theory evaluation of putative frameworks, including a topologically novel arhangelskite (arh) structure, based on the pentazolate ion, the ultimate all-nitrogen, inorganic member of the azolate series of aromatic 5-membered ring anions.
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