ISSN:
1432-2234
Schlagwort(e):
Photoelectron spectra
;
Group IV tetrachlorides
;
Carbon tetrahalides SCF-X α-SW method
;
Transition state
;
Ionization energy
;
Electronic structure
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Photoelectron spectra and one-electron eigenfunctions of group IV tetrachlorides, ACl4, where A = C, Si, Ge, Sn and carbon tetrahalides, CB4, where B = F, Cl, Br, I, have been calculated by SCF-X α-SW method. Excellent agreement is obtained with the observed photoelectron spectra. The radius reduction factors of atomic sphereF r were adjusted instead of changing individual atomic radii. The comparison of photoelectron spectra and one-electron eigenfunctions for molecules ACl4 for different central atoms A and halogen atoms B is discussed.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00569247
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