DFT studies on molecular and electronic structures of cationic carbene complexes [L2(η5-C5H5)Fe=CR5]+ (L = CO, PH3, dhpe, PPh3; R = H, F, CH3)
Summary: For the title complexes we discuss the results of DFT calculations for (i) the molecular and electronic structures, (ii) the rotational barriers of the carbenes around the Fe=Ccarb bond (ΔErot), and (iii) the binding energies of the carbenes (De). Where available, the calculated properties...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000732955/Description |
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| Matična publikacija: |
Croatica chemica acta 82 (2009), 1 ; str. 115-127 |
| Glavni autor: | Hyla-Kryspin, Isabella (-) |
| Ostali autori: | Mueck-Lichtenfeld, Christian (-), Grimme, Stefan |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
Croatica Chemica Acta |