Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Many of the important properties of transition-metal complexes depend on the low-energy excitation spectrum formed by d-electrons of the central transition-metal atom. The spectra of this type are usually fit to the well-known crystal field theory or to the angular overlap model. The result of the fitting is a set of parameters which are considered as characteristics of the electronic structure of the complex such as strength of the ligand field or types and extent of metal-ligand bonding. We present here a short account of the effective Hamiltonian method recently developed to calculate the splitting of the d-levels by the ligands and the resulting d-d spectra of transition-metal complexes together with some results of its application to the mixed-ligand complexes with the general formula ML4Z2, where M = V, Co, Ni; L = H2O, NH3, Py; and Z = H2O, NCS-,C -l. Particular attention is paid to the V(H2O)4Cl2 and Co(H2O)4Cl2 compounds. The former seems to have tetragonal structure, whereas for the latter, our method predicts a spatially degenerate ground state for the tetragonal arrangement of the ligands. That must lead to the Jahn-Teller distortion, which is actually observed. © 1996 John Wiley & Sons, Inc.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    Signatur Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...