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THE MULTIPLE CENTRIC d-pπBONDS AND ITS EFFECT ON THE ELECTRONIC STRUCTURES OF SOME TRANSITION METAL CLUSTERS
摘    要:<正> 1. THE THEORETICAL CALCULATION AND EXPERIMENTAL MEASUPEMNT FOR THE MULTIPLE CENTRIC d-pπ BONDING. It was shown from the data of bond lengths and IR spectra of the M-Lb,or t bonds in the c(?)ters(b denotes bridge;t terminal) that there is certain bonding interaction (about 0.3 bond order ) in addition to σ single bond between metal M and ligand Lb,or t. By systematic EHMO and DV-X calculations of a series of the cluster with 2-6 metal atoms (Tab.l), the following new information has been obtained.


THE MULTIPLE CENTRIC d-pπBONDS AND ITS EFFECT ON THE ELECTRONIC STRUCTURES OF SOME TRANSITION METAL CLUSTERS
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