TY - JOUR
T1 - A continuous chirality analysis of homoleptic hexacoordinated complexes
AU - Alvarez, Santiago
AU - Pinsky, Mark
AU - Avnir, David
PY - 2001
Y1 - 2001
N2 - Hexacoordinated complexes are generally considered to be potentially chiral if they have at least two bidentate ligands or at lest 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(mondenlate) 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(SC6H4-4-OMe)6]2-. The validity of the theoritical prediction is also corroborated by an analysis of the chirality of the coordination sphere in twisted tris(chelate) complexes.
AB - Hexacoordinated complexes are generally considered to be potentially chiral if they have at least two bidentate ligands or at lest 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(mondenlate) 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(SC6H4-4-OMe)6]2-. The validity of the theoritical prediction is also corroborated by an analysis of the chirality of the coordination sphere in twisted tris(chelate) complexes.
KW - Chirality
KW - Coordination chemistry
KW - Molecular symmetry
KW - Quantitative chirality
KW - Stereochemistry
UR - http://www.scopus.com/inward/record.url?scp=0034965236&partnerID=8YFLogxK
U2 - 10.1002/1099-0682(200106)2001:6<1499::aid-ejic1499>3.3.co;2-n
DO - 10.1002/1099-0682(200106)2001:6<1499::aid-ejic1499>3.3.co;2-n
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AN - SCOPUS:0034965236
SN - 1434-1948
SP - 1499
EP - 1503
JO - European Journal of Inorganic Chemistry
JF - European Journal of Inorganic Chemistry
IS - 6
ER -