Jump to main content
Jump to site search


A kinetically persistent isomer found for pentazole: a global potential energy surface survey

Author affiliations

Abstract

Among the N5R family, pentazoles (A1) with a 103-year-old research history remain the only class of kinetically persistent isomers. Aided by the first global isomeric survey and substitution study of N5H at the composite CBS-QB3 level, we predicted a new N5R isomer (C1) with kinetic stability close to pentazoles.

Graphical abstract: A kinetically persistent isomer found for pentazole: a global potential energy surface survey

Back to tab navigation

Supplementary files

Publication details

The article was received on 04 Dec 2018, accepted on 10 Jan 2019 and first published on 10 Jan 2019


Article type: Communication
DOI: 10.1039/C8CC09626K
Citation: Chem. Commun., 2019, Advance Article
  •   Request permissions

    A kinetically persistent isomer found for pentazole: a global potential energy surface survey

    X. Bo, H. Zheng, J. Xin and Y. Ding, Chem. Commun., 2019, Advance Article , DOI: 10.1039/C8CC09626K

Search articles by author

Spotlight

Advertisements