Journal ArticleDOI
The photoelectron spectra of the halomethanes
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In this paper, the photoelectron bands associated with ionization from the formally non-bonding p orbitals of the halogen atoms in the halomethanes have been interpreted in terms of a pseudo one-electron hamiltonian.Abstract:
The photoelectron bands associated with ionization from the formally non-bonding p orbitals of the halogen atoms in the halomethanes have been interpreted in terms of a pseudo one-electron hamiltonian. Account has been taken of interactions between the halogen atoms, of interactions between the halogen p orbitals and the σ-bonding orbitals, and of spin-orbit coupling. This model leads to a systematic assignment of all the bands of the chloro and bromomethanes, and gives a satisfactory account of the spin-orbit splittings in the bromomethanes.read more
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Book ChapterDOI
Relativistic Quantum Chemistry
TL;DR: In this article, a summary of the relativistic calculations on multielectron or multicenter problems is provided, including relativism effects on the chemical properties of the periodic system of elements.
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Photoelectron spectra of chlorofluoromethanes
T. Cvitaš,Hans Güsten,L. Klasinc +2 more
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Photoionization study of the ionization potentials and fragmentation paths of the chlorinated methanes and carbon tetrabromide
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References
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Journal ArticleDOI
Atomic Screening Constants from SCF Functions
E. Clementi,D. L. Raimondi +1 more
TL;DR: In this article, the selfconsistent field function for atoms with 2 to 36 electrons is computed with a minimal basis set of Slater-type orbitals, and the orbital exponent of the atomic orbitals are optimized as to ensure the energy minimum.
Journal ArticleDOI
Photoelectron spectra of the halides of elements in groups III, IV, V and VI
TL;DR: In this paper, the electron spectra of the halides of B, C, N, P, As, S, Se, Te and U are reported and interpreted in terms of molecular orbital structure.
Journal ArticleDOI
A Study of the Bonding in the Group IV Tetrahalides by Photoelectron Spectroscopy
TL;DR: The photoelectron spectra excited by helium 21.2 eV radiation in the group IV halides, AB4, where A, Si, Ge, Sn, Ti and B = C1, Br, have been determined and the ionization potential data are discussed in terms of a simple molecular orbital description of the electronic structures.