skip to main content

DOE PAGESDOE PAGES

Title: High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]

The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases. Here, we report a successful synthesis of a solid state compound consisting of isolated pentazolate anions N 5 , which is achieved by compressing and laser heating cesium azide (CsN 3) mixed with N 2 cryogenic liquid in a diamond anvil cell. The experiment was guided by theory, which predicted the transformation of the mixture at high pressures to a new compound, cesium pentazolate salt (CsN 5). Electron transfer from Cs atoms to N 5 rings enables both aromaticity in the pentazolates as well as ionic bonding in the CsN 5 crystal. As a result, this work provides critical insight into the role of extreme conditions in exploring unusual bonding routes that ultimately lead to the formation of novel high nitrogen content species.
Authors:
 [1] ;  [2] ;  [2] ;  [2] ;  [3] ; ORCiD logo [1]
  1. Univ. of South Florida, Tampa, FL (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Univ. of Chicago, Chicago, IL (United States)
Publication Date:
Report Number(s):
LLNL-JRNL-689491
Journal ID: ISSN 0897-4756; TRN: US1701174
Grant/Contract Number:
AC52-07NA27344
Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 2; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1343821

Steele, Brad A., Stavrou, Elissaios, Crowhurst, Jonathan C., Zaug, Joseph M., Prakapenka, Vitali B., and Oleynik, Ivan I.. High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]. United States: N. p., Web. doi:10.1021/acs.chemmater.6b04538.
Steele, Brad A., Stavrou, Elissaios, Crowhurst, Jonathan C., Zaug, Joseph M., Prakapenka, Vitali B., & Oleynik, Ivan I.. High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]. United States. doi:10.1021/acs.chemmater.6b04538.
Steele, Brad A., Stavrou, Elissaios, Crowhurst, Jonathan C., Zaug, Joseph M., Prakapenka, Vitali B., and Oleynik, Ivan I.. 2016. "High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]". United States. doi:10.1021/acs.chemmater.6b04538. https://www.osti.gov/servlets/purl/1343821.
@article{osti_1343821,
title = {High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]},
author = {Steele, Brad A. and Stavrou, Elissaios and Crowhurst, Jonathan C. and Zaug, Joseph M. and Prakapenka, Vitali B. and Oleynik, Ivan I.},
abstractNote = {The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases. Here, we report a successful synthesis of a solid state compound consisting of isolated pentazolate anions N5–, which is achieved by compressing and laser heating cesium azide (CsN3) mixed with N2 cryogenic liquid in a diamond anvil cell. The experiment was guided by theory, which predicted the transformation of the mixture at high pressures to a new compound, cesium pentazolate salt (CsN5). Electron transfer from Cs atoms to N5 rings enables both aromaticity in the pentazolates as well as ionic bonding in the CsN5 crystal. As a result, this work provides critical insight into the role of extreme conditions in exploring unusual bonding routes that ultimately lead to the formation of novel high nitrogen content species.},
doi = {10.1021/acs.chemmater.6b04538},
journal = {Chemistry of Materials},
number = 2,
volume = 29,
place = {United States},
year = {2016},
month = {12}
}