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

Steele, Brad A.; Stavrou, Elissaios; Crowhurst, Jonathan C.; Zaug, Joseph M.; Prakapenka, Vitali B.; Oleynik, Ivan I.

doi:10.1021/acs.chemmater.6b04538

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

Journal Article · Tue Dec 06 00:00:00 UTC 2016 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.6b04538· OSTI ID:1343821

Steele, Brad A. ^[1]; Stavrou, Elissaios ^[2]; Crowhurst, Jonathan C. ^[2]; Zaug, Joseph M. ^[2]; Prakapenka, Vitali B. ^[3]; ^[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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1343821

Alternate ID(s):: OSTI ID: 1342252

Report Number(s):: LLNL-JRNL--689491

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 2 Vol. 29; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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