Crystal field theory and the angular overlap model applied to hydrides of main group elements

Abstract The electronic structure of dodecahedral octacyanides of molybdenum IV and V is described in terms of SCCC molecular orbitals. Five MO's resemble d orbitals of the central atom. The splitting of appropriate levels is almost exactly the same as that following from the crystal field theory for G4/G2 ~ 0.7. According to the theory stable Mo(CN)84- is dodecahedral and stable MO(CN)83- is antiprismatic. In the dodecahedron the A-type ligands are bonded more strongly than the B-type ligands.

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Magnetische Eigenschaften der Normaltemperaturform von CsTmO2 / Magnetic Properties of the Normal-Temperature Form of CsTmO2

Zeitschrift für Naturforschung A ◽

10.1515/zna-1979-0813 ◽

1979 ◽

Vol 34 (8) ◽

pp. 997-1002 ◽

Cited By ~ 5

Author(s):

Werner Urland

Keyword(s):

Magnetic Properties ◽

Magnetic Anisotropy ◽

Crystal Field ◽

Ground State ◽

Low Temperatures ◽

Magnetic Behaviour ◽

Magnetic Data ◽

Angular Overlap Model ◽

Temperature Form ◽

Overlap Model

AbstractThe magnetic behaviour of the normal-temperature-form of CsTmO2 (NT-CsTmO2) has been studied in the temperature range between 2.9 and 251.3 K. In order to interpret the magnetic data a method applying the angular overlap model has been established to assess the crystal-field (CF) parameters of NT-CsTmO2 (CF symmetry: D3d) from the known CF parameters for Tm3+ substituted in YVO4 (CF symmetry: D2d)-With these CF parameters the observed magnetic properties of NT-CsTmO2 can be satisfactorily simulated. The calculation of the paramagnetic principal susceptibilities yields a high magnetic anisotropy, especially at low temperatures. The energy values of the CF levels of the 3H6 ground state are calculated.

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Über des magnetische Verhalten von Cs2MYbF6 (M = Na, K, Rb) und Cs2NaYbBr6 / On the Magnetic Behaviour of Cs2MYbF6 (M = Na, K, Rb) and Cs2NaYbBr6

Zeitschrift für Naturforschung A ◽

10.1515/zna-1979-1218 ◽

1979 ◽

Vol 34 (12) ◽

pp. 1507-1511

Author(s):

Werner Urland

Keyword(s):

Crystal Field ◽

Ground State ◽

Magnetic Behaviour ◽

Magnetic Data ◽

Temperature Range ◽

Angular Overlap Model ◽

The Individual ◽

Overlap Model ◽

Overlap Parameter

Abstract The magnetic behaviour of Cs2MYbF6 (M = Na, K, Rb) and Cs2NaYbBr6 has been studied in the temperature range between 3.5 and 251.3 K. The magnetic data are interpreted by means of a previously developed model in which the influence of the crystal field is theoretically described by the angular overlap model. The obtained values of the angular overlap parameter eσ(R) for the individual compounds are discussed and compared with each other. The energy values of the crystal-field levels of the 2F7/2 ground state are calculated.

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