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The M6S8L6 clusters: an example in cluster and condensed phase chemistry

✍ Scribed by Ramiro Arratia-Pérez

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 569 KB
Volume: 213
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)89158-e

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✦ Synopsis

Dirac molecular orbital calculations (DSW-Xcx) on the octahedral molecular cluster models M.&L* (M =Mo, W, and L= twoelectron ligand o donor) have been carried out. The calculated cluster valence density of states, valence bandwidth and calculated formal charge on each MO atom, and calculated outer core spin-orbit parameters of the metal and S-facial atoms are in good accord with resolved XPS and UPS data of the molecular clusters Mo&(PEt,),, W&(PEt&, and of the solid AMo& (A= Pb, Sn) superconducting ternary phases.

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