Structure and bonding of novel paddle-wheel diiridium polynitrogen compounds: A stronger iridium-iridium bonding by density functional theory

Journal of Organometallic Chemistry

Volumn 769, Issue , 2014, Pages 94-99

  Tang, Lihong ^a   Guo, Huibin ^a   Peng, Jinhui ^a   Ning, Ping ^a   Li, Kai ^a   Li, Junyan ^a   Gu, Junjie ^a   Li, Qianshu ^b  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Density functional calculations; High energy density materials; Natural bonding orbital; Polynitrogen

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; IRIDIUM COMPOUNDS; WHEELS;

DISSOCIATION ENERGIES; EQUILIBRIUM GEOMETRIES; HIGH ENERGY DENSITY MATERIALS; MONONUCLEAR FRAGMENTS; NATURAL BONDING ORBITALS; NUCLEUS INDEPENDENT CHEMICAL SHIFTS; POLYNITROGEN; POLYNITROGEN COMPOUNDS;

IRIDIUM;

EID: 84905858488     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2014.07.008     Document Type: Article

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