Crystal structure and spectra of bis(2,2-dimethyl-1,3-diaminopropane)copper(II) nitrate
Identifieur interne : 001E06 ( Main/Exploration ); précédent : 001E05; suivant : 001E07Crystal structure and spectra of bis(2,2-dimethyl-1,3-diaminopropane)copper(II) nitrate
Auteurs : A. C. Stergiou [Grèce] ; S. Papastephanou [Grèce] ; C. Tsiamis [Grèce]Source :
- Polyhedron [ 0277-5387 ] ; 1994.
English descriptors
- Teeft :
- Anion, Bond lengths, Central carbon atom, Central metal, Chair conformation, Chelate, Chelate ring, Chelate rings, Chem, Clinographic projection, Collogly, Conformation, Coordination compounds, Copper atom, Crystal structure, Diamine, Electronic excitation spectra, Excitation, Hydrogen atoms, Interatomic distances, Intermolecular hydrogen bonds, Methyl groups, Molecular mechanics approach, Nitrate, Nitrate group, Nitrate groups, Nitrogen atoms, Oxygen atoms, Skeletal carbon atoms, Stergiou, Strong band, Title compound, Unit cell, Vibrational spectra, Weak covalent interactions, Znorg.
Abstract
Abstract: The compound Cu(Me2tn)2(NO3)2, (Me2tn denotes 2,2-dimethyl-1,3-diaminopropane) was prepared and investigated by means of structural and spectroscopic (IR and electronic) measurements. The electronic excitation spectra are consistent with a CUN4O2 chromophore. The structure determined by X-ray crystallography consists of discrete Cu(Me2tn)2(NO3)2 monomeric units, where the 1,3-diamine coordinates as a bidentate ligand through the nitrogen atoms. The copper(II) ion is surrounded by four nitrogen atoms of two in-plane chelating diamine molecules and two oxygen atoms of the nitrate groups in trans position. A centrosymmetric rhombic octahedral stereochemistry around copper pertains. The six-membered chelate rings attain the chair conformation. The inequalities in the CuN distances suggests second-order Jahn-Teller deformation while the elongation of the CuO bonds, resulting from weak covalent interactions with one of the oxygens of the NO−3 anion implicates d-s orbital mixing. The tilt of the CuO bonds relative to the CuN4 plane and the short O··· H distances suggest the existence of intra- and intermolecular hydrogen bonds, also revealed by the IR spectra. The principal stretching vibrations are assigned and discussed in the light of the determined structure.
Url:
DOI: 10.1016/S0277-5387(00)88138-3
Affiliations:
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The electronic excitation spectra are consistent with a CUN4O2 chromophore. The structure determined by X-ray crystallography consists of discrete Cu(Me2tn)2(NO3)2 monomeric units, where the 1,3-diamine coordinates as a bidentate ligand through the nitrogen atoms. The copper(II) ion is surrounded by four nitrogen atoms of two in-plane chelating diamine molecules and two oxygen atoms of the nitrate groups in trans position. A centrosymmetric rhombic octahedral stereochemistry around copper pertains. The six-membered chelate rings attain the chair conformation. The inequalities in the CuN distances suggests second-order Jahn-Teller deformation while the elongation of the CuO bonds, resulting from weak covalent interactions with one of the oxygens of the NO−3 anion implicates d-s orbital mixing. The tilt of the CuO bonds relative to the CuN4 plane and the short O··· H distances suggest the existence of intra- and intermolecular hydrogen bonds, also revealed by the IR spectra. 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