Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks-Reference-Cited by-同舟云学术

Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks

Published:2018 Issue:13 Volume:9 Page:3367-3375
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Arhangelskis Mihails¹²³^ORCID,Katsenis Athanassios D.¹²³^ORCID,Morris Andrew J.⁴⁵⁶⁷^ORCID,Friščić Tomislav¹²³^ORCID

Affiliation:

1. Department of Chemistry

2. McGill University

3. Canada

4. School of Metallurgy and Materials

5. University of Birmingham

6. Birmingham B15 2TT

7. UK

Abstract

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.

Funder

Natural Sciences and Engineering Research Council of Canada

Fonds de Recherche du Québec - Nature et Technologies

University of Birmingham

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC05020H

Reference97 articles.