The complete interaction matrices are used to calculate the absorption energy levels of Cr3+ ion in a ligand field of D4h symmetry and the results are compared with the recently available experimental spectra of Cr(L-his)2·(NO3). The two strong, broad bands observed at 20,760 and 26,820 cm-1 are attributed to the spin-allowed electronic transitions 4B^1[t23 4A2]?4Ê[t22(3 T1)e4T2] and 4Â2[t22(3T1 )e4T1], respectively. The group of two weak lines at lower energies are assigned to the spin-forbidden transitions 4B^1[t23 4A2]?tetragonal components 2Â1[t232E] and 2B^1[t23 2E] within the ground configuration t23. The wave functions with three largest components for each calculated electronic level are also given. These assignments of experimental levels give values of the Hamiltonian parameters (in cm-1) as B = 538, C = 33525, ? = 203, µ = -156, Dq = 2079. © 2002 Elsevier Science B.V. All rights reserved.
- Atomic spectra
- Crystal and ligand fields
- Intensities and shapes of atomic spectral lines
- Level splitting and interactions