Crystal-field analysis for d ions at D4h symmetry sites: Electronic states in trans-NiCl2(H2O)4 complex |
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| Authors: | Souha Kammoun Mohamed Dammak Ramzi Maalej Mohamed Kamoun |
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| Institution: | Laboratoire de Physique Appliquée, Groupe de Physique Théorique, Département de Physique, Faculté des Sciences de Sfax, B.P. 802, 3018 Sfax, Tunisie |
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| 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. |
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| Keywords: | 71 70 Ch 72 80 Ga 76 30 Fc 78 20 Bh |
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