High-Pressure Synthesis of a Pentazolate Salt

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

doi:10.1021/acs.chemmater.6b04538

High-Pressure Synthesis of a Pentazolate Salt

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

164 Scopus citations

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. 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.

Original language	English
Pages (from-to)	735-741
Number of pages	7
Journal	Chemistry of Materials
Volume	29
Issue number	2
DOIs	https://doi.org/10.1021/acs.chemmater.6b04538
State	Published - 24 Jan 2017
Externally published	Yes

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title = "High-Pressure Synthesis of a Pentazolate Salt",

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. 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.",

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T1 - High-Pressure Synthesis of a Pentazolate Salt

AU - Steele, Brad A.

AU - Stavrou, Elissaios

AU - Crowhurst, Jonathan C.

AU - Zaug, Joseph M.

AU - Prakapenka, Vitali B.

AU - Oleynik, Ivan I.

PY - 2017/1/24

Y1 - 2017/1/24

N2 - 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. 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.

AB - 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. 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.

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High-Pressure Synthesis of a Pentazolate Salt

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