非表示:
キーワード:
-
要旨:
An extended CNDO formalism for the treatment of large transition metal cluster systems is presented. After a detailed discussion of parametrization it is applied to a family of compounds, namely to Co(CO) ̅4 , Co2(CO)8, Co4CO)12, Mn2(CO)10. The results can be interpreted in the light of simple electron counting rules and additionally allow detailed insight in bonding capabilities of large metal cluster systems. Bridged and unbridged clusters are compared and the results are extrapolated to surface systems. In the case of Co4(CO)12 two possible stereoisomers of symmetry C3v and Td are discussed.
