Article ID Journal Published Year Pages File Type
5404253 Journal of Luminescence 2007 5 Pages PDF
Abstract
The polarized absorption spectra of trans-NiCl2(H2O)4 complex were measured by Bussière et al. [Coord. Chem. Rev. 219-221 (2001) 509-543] at low-temperature. Using the experimental spectroscopic data, semiempirical calculations of the crystal-field levels of trans-NiCl2(H2O)4 chromophore are carried out, based on the Racah theory. We used idealized D4h point group symmetry to analyse the observed crystalline-field splitting of this chromophore. As a result, Racah and crystal-field parameters have been reliably obtained. A good agreement between the theoretical and experimental energy levels of trans-NiCl2(H2O)4 complex has been obtained. The region of 3T1g/1Eg(Oh) bands is of great interest and it is useful to use the tetragonal symmetry to understand the features of this spectral region.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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