DFT studies on molecular and electronic structures of cationic carbene complexes [L2 (η 5-C5H5)Fe= CR2]+ (L = CO, PH3, dhpe, PPh3; R = H, F, CH3)

Croatica Chemica Acta

Volumn 82, Issue 1, 2009, Pages 115-127

  Hyla Kryspin, Isabella ^a   Mück Lichtenfeld, Christian ^a   Grimme, Stefan ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Binding energies; DFT calculations; Iron carbenes; Rotational barriers

Indexed keywords

EID: 68049147186     PISSN: 00111643     EISSN: 1334417X     Source Type: Journal    
DOI: None     Document Type: Article

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