Theoretical studies on the multiple metal-metal bonds in the bimetallic molecules and the ultrashort V-Mn bonds in the complexes

Journal of Organometallic Chemistry

Volumn 717, Issue , 2012, Pages 108-115

  Dong, Hua ^a   Meng, Qingyong ^a,c   Chen, Bo Zhen ^a   Wu, Yan Bo ^b  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^b SHANXI UNIVERSITY   (China)

^c UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

CASPT2; CASSCF; Multiple metal metal bonds; NBO

Indexed keywords

2-AMINOPYRIDINE; 2-HYDROXYPYRIDINE; AMIDINATES; AS-LIGANDS; B3LYP METHOD; BASIS SETS; BIMETALLIC CORES; BOND ORDERS; CAS-SCF; CASPT2; ELECTRONIC EFFECTS; GUANIDINATES; HETEROBIMETALLICS; METAL-METAL BONDS; MULLIKEN CHARGES; MULTICONFIGURATION; NATURAL BOND ORDERS; NBO; RELATIVISTIC EFFECTS; SECOND ORDER PERTURBATION THEORY; SPIN-ORBIT COUPLINGS; STERIC HINDRANCES; THEORETICAL STUDY;

BOND LENGTH; COMPLEXATION; MANGANESE; METALLIC COMPOUNDS; MOLECULES;

LIGANDS;

EID: 84865304058     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2012.07.035     Document Type: Article

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