Structure of mixed group IB metal trimers

✍ Scribed by Steven C. Richtsmeier; Thomas Jagger; James L. Gole; David A. Dixon

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 564 KB
• Volume: 117
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(85)80220-7

✦ Synopsis

The smctureS of all mined group LB uimers have been calculated in the diatornics-in-molecule (DIM) approximation. The optimum tnmer geometries correspond to benr structures in C, or G, symmetry AU tiers are bound with respect to &-ation to an atom plus a diatomic. The slr~cturcs can all be characterized as having an "obtuse" str~ctuc WI&I a bond angle greater than 60'. The structure 01 the trimer is controlled by the atom which Forms the strongest diatomic bonds This ti confirmed by calculahons on the possible linear structures. The most stable Linear stnxture has the atom which forms the strongest dialomic bonds in the =tral position.