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What is wrong with a square metal cluster?
Author(s) -
Lauher Joseph W.
Publication year - 1988
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560340835
Subject(s) - cluster (spacecraft) , atomic orbital , ligand field theory , steric effects , molecular orbital , metal , square (algebra) , planar , chemistry , symmetry (geometry) , transition metal , molecule , non bonding orbital , molecular physics , crystallography , metal k edge , metal l edge , chemical physics , computational chemistry , physics , geometry , stereochemistry , quantum mechanics , electron , mathematics , biochemistry , computer graphics (images) , organic chemistry , computer science , catalysis , programming language , ion
Abstract Square planar transition metal cluster compounds are uncommon, there is only one good example, [Os 4 (CO) 16 ], and it is an unstable molecule, with longer than expected metal–metal bonds. Force field calculations of ligand packing show that the molecule has no particular steric problem. A qualitative molecular orbital analysis shows an orbital symmetry problem that allows the formation of no more than two in‐plane metal–metal bonds. This symmetry restriction is due to the nodal patterns of the occupied d orbitals and should apply to other square transition metal clusters as well.