The Distorted Pd9(μ:η5,η2-As2)4(PPh3)8 Architecture

✍ Scribed by Régis Gautier; Jean-François Halet; Jean-Yves Saillard

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 318 KB
• Volume: 1999
• Category: Article
• ISSN: 1434-1948
• DOI: 10.1002/(sici)1099-0682(199904)1999:4<673::aid-ejic673>3.0.co;2-y

✦ Synopsis

Extended Hückel and density functional calculations were and the lowest unoccupied molecular orbital for the observed electron count of 130 MVEs, calculations indicate that such carried out on the title compound 1. Results indicate that the bonding of the interstitial Pd i atom with the D 2d distorted an architecture should be observed for different electron counts close to that count. The incorporation of the central (Pd s ) 8 (As 2 ) 4 cubic host differs from that found in the related metal-centered cubic species M 9 (µ 4 -E) 6 L 8 . Species 1 can be Pd atom does not seem to be essential to ensure the stability of the distorded Pd 8 (As 2 ) 4 (PH 3 ) 8 cluster. Such empty clusters, described as an approximate square-planar 16-electron Pd i L 4 center bound through Pd i -As rather than Pd i -Pd s contacts to with formally four M-M bonds and eight planar 16-electron Pd s centers, should exist for electron counts close to 120 a distorted cubic fragment composed of four 30-electron bimetallic Pd 2 L 8 units. Although a substantial gap is MVEs. computed between the highest occupied molecular orbital MVE species [Co 9 (µ 5 -Bi) 4 (CO) 16 ] 2Ϫ , characterized by Eve-[ ] Part 3: Ref. [23] [a]