High-Pressure Synthesis of a Nitrogen-Rich Inclusion Compound ReN8xN2 with Conjugated Polymeric Nitrogen Chains

被引：72

作者：

Bykov, Maxim ^{[1
]}

Bykova, Elena ^{[2
]}

Koemets, Egor ^{[1
]}

Fedotenko, Timofey ^{[1
]}

Aprilis, Georgios ^{[3
]}

Glazyrin, Konstantin ^{[2
]}

Liermann, Hanns-Peter ^{[2
]}

Ponomareva, Alena V. ^{[4
]}

Tidholm, Johan ^{[5
]}

Tasnadi, Ferenc ^{[5
]}

Abrikosov, Igor A. ^{[5
]}

Dubrovinskaia, Natalia ^{[3
]}

Dubrovinsky, Leonid ^{[1
]}

机构：

[1] Univ Bayreuth, Bayer Geoinst, Univ Str 30, D-95440 Bayreuth, Germany

[2] Deutsch Elektronen Synchrotron DESY, Photon Sci, Notkestr 85, D-22607 Hamburg, Germany

[3] Univ Bayreuth, Mat Phys & Technol Extreme Condit Lab Crystallog, Univ Str 30, D-95440 Bayreuth, Germany

[4] Natl Univ Sci & Technol MISIS, Mat Modeling & Dev Lab, Moscow 119049, Russia

[5] Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2018年 / 57卷 / 29期

基金：

瑞典研究理事会;

关键词：

high-energy-density materials; high-pressure chemistry; nitrides; polymeric nitrogen; X-ray diffraction; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AB-INITIO; 1ST PRINCIPLES; MECHANICAL-PROPERTIES; BASIS-SET; NITRIDES; REN2; STABILITY; PHASE;

D O I：

10.1002/anie.201805152

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A nitrogen-rich compound, ReN(8)xN(2), was synthesized by a direct reaction between rhenium and nitrogen at high pressure and high temperature in a laser-heated diamond anvil cell. Single-crystal X-ray diffraction revealed that the crystal structure, which is based on the ReN8 framework, has rectangular-shaped channels that accommodate nitrogen molecules. Thus, despite a very high synthesis pressure, exceeding 100GPa, ReN(8)xN(2) is an inclusion compound. The amount of trapped nitrogen (x) depends on the synthesis conditions. The polydiazenediyl chains [-N=N-] that constitute the framework have not been previously observed in any compound. Abinitio calculations on ReN(8)xN(2) provide strong support for the experimental results and conclusions.

引用

页码：9048 / 9053

页数：6

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