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A Continuous Chirality Analysis of Homoleptic Hexacoordinated Complexes
Author(s) -
Alvarez Santiago,
Pinsky Mark,
Avnir David
Publication year - 2001
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/1099-0682(200106)2001:6<1499::aid-ejic1499>3.0.co;2-w
Subject(s) - homoleptic , chirality (physics) , chemistry , denticity , crystallography , octahedron , axial chirality , chelation , planar chirality , trigonal prismatic molecular geometry , stereochemistry , enantioselective synthesis , crystal structure , inorganic chemistry , metal , organic chemistry , catalysis , chiral symmetry breaking , physics , quantum mechanics , nambu–jona lasinio model , quark
Hexacoordinated complexes are generally considered to be potentially chiral if they have either at least two bidentate ligands or at least three different monodentate ligands. Here we draw attention to a neglected general possibility, namely that homoleptic hexacoordinated complexes with molecular structures in between octahedral and trigonal prismatic, following the Bailar twisting route, are chiral. A quantitative evaluation of the degree of chirality of such hexakis(mondentate) complexes shows that they reach maximum chirality when the trigonal rotation angle of the prism reaches 23°. Model calculations and analysis of experimental X‐ray structures are in good agreement. The most chiral of the complexes with monodentate ligands that have been analyzed is [Zr(SC 6 H 4 ‐4‐OMe) 6 ] 2− . The validity of the theoretical prediction is also corroborated by an analysis of the chirality of the coordination sphere in twisted tris(chelate) complexes.