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Exchange interactions between dimers of chromium(III). A cluster approach (1983)

Hauser, Urs ; Güdel, Hans U.

Springer

Theoretical chemistry accounts 62 (1983), S. 319-327

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ISSN: 1432-2234

Keywords: Exchange interactions ; Chromium(III) dimer ; Chromium(III) tetramer ; Chromium(III) octamer

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract Exchange interactions in dimers, tetramers and octamers of chromium(III) are treated with an effective Hamiltonian of the Heisenberg-Dirac-vanVleck (HDvV) type. Energies and wave functions of the cluster states are computed. The results of interdimer interactions are: (i) energy splittings and (ii) a contamination of the cluster ground state with excited configurations. The results are used for a qualitative rationalisation of the observed low-temperature properties of Cs3Cr2Cl9.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00547890

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