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6. Molecular Geometry.

Author

Desseyn, H. O.

Abstract

Compares linear-nonlinear and planar-nonplanar geometry through the valence-shell electron pairs repulsion (V.S.E.P.R.), Mulliken-Walsh, and electrostatic force theories. Indicates that although the V.S.E.P.R. theory has more advantages for elementary courses, an explanation of the best features of the different theories offers students a better insight into the complexity of molecular geometry. (JN)

Published
1985

18. Synthesis and Spectroscopic Characterization of the Heterobimetallic Chain Compounds [Mpdl2]N and [Cuptl2]N (M = Co, Ni, Cu, Zn, Pt - L2- = N,N'-Dimethylmonothiooxamido)

Author

Perlepes, S. P., Plakatouras, J. C., and Desseyn, H. O.

Subjects
heterobimetallic complexes, complexes, oxamides, thermal-analysis, planar dithiooxamides, pd(ii), complexes as ligands, design, vibrational-spectra, crystal-structure, vibrational spectra, molecular-based ferromagnet, monothiooxamides
Abstract

By using the ''complexes as ligands'' synthetic strategy and the unique [Pd(LH)2] and [Pt(LH)2] precursors, the novel heterobimetallic polymeric compounds [MPdL2]n and [CuPtL2]n (M = Co, Ni, Cu, Zn, Pt; L2- = the dianion of N,N'-dimethylmonothiooxamide) have been prepared. The vibrational analysis of the complexes is given using various isotopic substitutions. The polymers consist of alternate planar PdO2S2 (or PtO2S2) and tetrahedrally-distorted planar MN4 structural units. Spectroscopy Letters

Published
1993

19. Synthesis, Spectroscopy and Thermal-Properties of the Nickel(Ii), Palladium(Ii) and Copper(Ii) Complexes of Bis(Aminoalkyl)- Oxamides (= Lh2) Including the Crystal-Structure of Cu2 L(No3)2

Author

Quaeyhaegens, F. J., Desseyn, H. O., Perlepes, S. P., Plakatouras, J. C., Bracke, B., and Lenstra, A. T. H.

Subjects
state, cu(ii) complexes, ni(ii), ligands, pd(ii), infrared-spectra, mu-oxalato-bridges, vibrational-spectra, oxamato
Abstract

The synthesis of the Ni(II), Pd(II) and Cu(II) complexes of N,N'-bis(aminoalkyl)oxamides (LH2) is described and structures are proposed on the basis of their physical and spectroscopic properties. With Ni(II) and Pd(II) only one complex is formed with general formula NiL or PdL, characterised by coordination through two deprotonated amide N-atoms and two terminal NH2 groups. With Cu(II) it proved possible to obtain three structurally different compounds, depending on the pH, with general formulae Cu(LH2)X2, Cu2(L)X2 and CuL in which X = Cl, Br or NO3. The structure of [Cu2(C8O2N4H16](NO3)2 was solved by means of x-ray diffraction; Mr = 451.33, monoclinic, space group P2(1)/n, a = 9.503(4), b = 7.614(1), c = 10.407(3) angstrom, beta = 98.43(3)-degrees, V = 744.3(7) angstrom 3, Z = 2, Dx = 1.202 g cm-3, mu = 1.33 cm-1, lambda-(MoK-alpha) = 0.71073 angstrom, F(000) = 520, room temperature, R = 0.043, wR = 0.047 for 1080 observed [I greater-than-or-equal-to 3-sigma(I)] not systematically absent reflections out of 1423 measurements and 137 variables. The compound has a conformational chair/boat disorder with 82% in the more stable chair form. Transition Metal Chemistry

Published
1991

48. On the Conformational Analysis of N,N-Dimethyloxamide

Author

Veken, B. J. van der, Desseyn, H. O., and Herman, M. A.

Abstract

The results of an energy optimization, using CNDO/2, with respect to two internal dihedral angles in N,N-dimethyloxamide are reported. The lowest minimum is found for a planar dimethylamide function, twisted around the C -C bond over an angle of 80.5 degrees with respect to the other amide function. Some calculated properties are compared with experimental data.

Published
1977
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