Structural and electronic effects involving pyridine rings in 4-methylpyridine Cu4OX6L4 complexes. II. Correlations based on molecular structure of the Cu4OCl6(4-Mepy)4 complex |
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Authors: | Gregor Ondrejovi? Marian Koman and Adela Koto?ová |
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Institution: | (1) Department of Inorganic Chemistry, Institute of Inorganic Chemistry, Technology and Materials, Faculty of Chemical and Food Technology, Slovak University of Technology, Radlinského 9, 812 37 Bratislava, Slovakia |
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Abstract: | Correlations involving bond lengths and bond angles in the molecular structure of the Cu4OCl6(4-Mepy)4 complex (4-Mepy = 4-methylpyridine) with four symmetrically independent molecules present in the unit cell showed that the
donor-acceptor behavior involving the π-back donation into the pyridine rings of the 4-Mepy ligands is most effectively stimulated by a suitable orientation of the
pyridine rings in the trigonal bipyramidal geometry. The pyridine ring planes are almost in parallel orientation with one
of the three Cu-Cl bonds. The bond lengths of these Cu-Cl bonds are in a significant linear correlation with the Cu-N bond
lengths and the bonds lengths of the pyridine rings. The pyridine rings orientation is affected by distortion of the trigonal
bipyramidal geometry to tetragonal pyramidal coordination, by out-of plane pyridine rings deviation and in-plane pyridine
rings tilting, by puckering of the pyridine rings and by the effects of the methyl groups. The pyridine rings in at least
seven of the sixteen trigonal bipyramidal coordinations exhibit an orientation supporting the π-back bonding between the Cu(II) atoms and the pyridine rings. |
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Keywords: | tetranuclear Cu4OCl6(4-Mepy)4 complex scatter graph correlations π -back bonding |
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