Metallization of a hypervalent radical dimer: Molecular and band perspectives

Journal of the American Chemical Society

Volumn 132, Issue 13, 2010, Pages 4876-4886

  Tse, John S ^a   Leitch, Alicea A ^b   Yu, Xueyang ^c   Bao, Xuezhao ^c   Zhang, Sijia ^d   Liu, Qingqing ^d   Jin, Changqing ^d   Secco, Richard A ^c   Desgreniers, Serge ^e   Ohishi, Yasuo ^f   Oakley, Richard T ^b  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

^b UNIVERSITY OF WATERLOO   (Canada)

^c UNIVERSITY OF WESTERN ONTARIO   (Canada)

^d INSTITUTE OF PHYSICS   (China)

^e UNIVERSITY OF OTTAWA   (Canada)

^f JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT PRESSURES; BAND EDGE; BAND GAPS; CRYSTAL AND MOLECULAR STRUCTURE; CRYSTAL ARCHITECTURE; DFT CALCULATION; FUNCTION OF PRESSURE; HOMO-LUMO GAPS; IN-CELL; INTERMOLECULAR INTERACTIONS; METALLIC STATE; METALLIZATIONS; PRESSURE AND TEMPERATURE; PRESSURE RANGES; PRESSURE REGIONS; RADICAL DIMERS; SPACE GROUPS; STRUCTURAL CHANGE; UNIT CELLS;

COALESCENCE; ELECTRON MOBILITY; ELECTRONIC STRUCTURE; METALLIZING; MOLECULAR ELECTRONICS; MOLECULAR STRUCTURE; OLIGOMERS; SULFUR COMPOUNDS;

CRYSTAL STRUCTURE;

DIMER;

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; ELECTRON; ENVIRONMENTAL TEMPERATURE; HYDROGEN BOND; METALLIZATION; MOLECULAR INTERACTION; SOLID STATE;

COMPUTER SIMULATION; DIMERIZATION; ELECTRIC CONDUCTIVITY; FREE RADICALS; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; PRESSURE; SELENIUM; SULFHYDRYL COMPOUNDS; TEMPERATURE;

EID: 77950842516     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja100216c     Document Type: Article

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