Showing papers on "Tetrahedral molecular geometry published in 1980"
TL;DR: The structure of bovine erythrocyte Cu, Zn superoxide dismutase has been determined to 2 A resolution using only the larger structure factors beyond 4 A and stereochemically restrained refinement against structure factors, which allowed the use of non-crystallographic symmetry.
890 citations
TL;DR: The gas phase helium (i) photoelectron spectra of the actinide tetrahalides UF4, ThF 4, UCl 4, and ThCl 4 have been recorded as discussed by the authors.
Abstract: The gas phase helium (i) photoelectron spectra of the actinide tetrahalides UF4, ThF4, UCl4, and ThCl4 have been recorded. The spectra have been interpreted with the aid of nonrelativistic multiple‐scattering SCF‐Xα calculations and are consistent with an effective tetrahedral geometry for these molecules in the gas phase. Both the calculations and the spectra indicate that the 5f electrons in UF4 and UCl4 are essentially localized on the central metal.
40 citations
TL;DR: In this article, collision induced isotropic and anisotropic spectra of light scattered from fluids of tetrahedral molecules were examined and the interaction function used includes the dipole-induced dipole effect.
Abstract: The collision induced isotropic and anisotropic spectra of light scattered from fluids of tetrahedral molecules are examined. The interaction function used includes the dipole-induced dipole effect...
36 citations
TL;DR: X-ray crystal structures of three modifications of tetrakis(triphenylphosphine) gold(I) tetraphenylborate have been determined, one at −150 °C; none shows the expected simple tetrahedral geometry as discussed by the authors.
Abstract: X-Ray crystal structures of three modifications of tetrakis(triphenylphosphine)gold(I) tetraphenylborate have been determined, one at –150 °C; none shows the expected simple tetrahedral geometry.
29 citations
TL;DR: In this article, the rotational potential of the tunnel splitting of the librational groundstate of a molecule is investigated and it is shown that the observed shift of tunnel lines to smaller energies can be correlated with the change of the lattice parameter and to the exponent of an effective potential.
19 citations
TL;DR: In this paper, a series of coordination complexes of the composition ML 2 Cl 2 (M Co(II), Cu(II) and L = substituted 2-amino and 2-acetylamino thiazoles) are synthesized and characterized by conductance, molecular weights, magnetic susceptibility, IR, electronic and ESR spectral studies, IR and electronic spectra suggest coordination through the amino nitrogen and carbonyl oxygen.
17 citations
17 citations
TL;DR: In this paper, the second pressure and dielectric virial coefficients, the spectral moments of the pressure induced far infra-red absorption band and the intermolecular mean squared torque for a gas of molecules belonging to the Oh group were derived from previous work of the present authors concerning the tetrahedral molecules.
Abstract: Analytical expressions for the electrostatic, dispersion and induction interaction between an octahedral molecule and an atom, a linear, tetrahedral, or octahedral molecule are deduced from previous work of the present authors concerning the tetrahedral molecules. This allows the calculation of the second pressure and dielectric virial coefficients, the spectral moments of the pressure induced far infra-red absorption band and the intermolecular mean squared torque for a gas of molecules belonging to the Oh group. Numerical applications to SF6 gas show that the anisotropic dispersion interaction contribution plays a dominant role in the virial coefficients but not in the spectral moments. It follows that the order of magnitude of the hexadecapole moment for SF6, previously determined by Rosenberg and Birnbaum from the spectral moments is practically unaffected by consideration of the anisotropic dispersion interaction. In contrast, the calculated values of the virial coefficients are modified significantl...
11 citations
TL;DR: The structure of Mn(NO)3PPh3 has been analyzed by single-crystal X-ray diffraction as discussed by the authors, and it shows a tetrahedral geometry with essentially linear nitrosyl groups, and an eclipsed configuration around the MnP bond.
10 citations
TL;DR: In this paper, the rotational eigenvalues and eigenvectors of a tetrahedral molecule in the field were examined in terms of a set of free rotor functions and the use of pocket state method.
Abstract: Accuracies of the rotational eigenvalues and eigenvectors of a tetrahedral molecule in a tetrahedral field are examined. Calculations are made in two ways: one is in terms of a set of free rotor functions and the other in the use of the pocket state method by Huller and Kroll [J. Chem. Phys. 63, 4495 (1975)]. If the basis set consists of the free rotor functions up to the eighth order, the former method is superior to the latter as long as the potential strength does not exceed 40B, B being the rotational constant. Huller and Raich’s criterion for the accuracy of the free rotor function method [J. Chem. Phys. 71, 3851 (1979)] is shown to have limited application.
6 citations
TL;DR: An X-ray structure analysis of binuclear complex [CuCl2{RNC(Me)C(R′)NR} has shown that the Pd-C σ-bonded 1,4-diaza-3-methylbutadien-2-yl-group acts as σ,σ-N,N chelating ligand witha tetragonally distorted tetrahedral geometry around the copper atom as discussed by the authors.
Journal Article•
TL;DR: In this paper, the results concerning partially oriented spectra of two types of medium sized molecules are discussed, i.e., substituted anilines and Heterocyclic compounds.