High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]
Abstract
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.
- Authors:
-
[1]
- Univ. of South Florida, Tampa, FL (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Univ. of Chicago, Chicago, IL (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1343821
- Report Number(s):
- LLNL-JRNL-689491
Journal ID: ISSN 0897-4756; TRN: US1701174
- Grant/Contract Number:
- AC52-07NA27344
- Resource 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)
- 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
Citation Formats
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., 2016.
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. https://doi.org/10.1021/acs.chemmater.6b04538
Steele, Brad A., Stavrou, Elissaios, Crowhurst, Jonathan C., Zaug, Joseph M., Prakapenka, Vitali B., and Oleynik, Ivan I. Tue .
"High-pressure synthesis of a pentazolate salt [High-pressure synthesis of condensed-phase pentazolate]". United States. https://doi.org/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 = {Tue Dec 06 00:00:00 EST 2016},
month = {Tue Dec 06 00:00:00 EST 2016}
}
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