An analysis of electronic bands of Cr3+ in tetragonal complexes

H. U. Rahman

doi:10.1016/S0921-4526(02)01283-8

An analysis of electronic bands of Cr³⁺ in tetragonal complexes

H. U. Rahman

Research output: Contribution to journal › Article › peer-review

Abstract

The complete interaction matrices are used to calculate the absorption energy levels of Cr³⁺ ion in a ligand field of D_4h 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[t₂^{3 4}A₂]?⁴Ê[t₂²(³T₁)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[t₂^{3 4}A₂]?tetragonal components ²Â₁[t₂³²E] and ²B^₁[t₂^{3 2}E] 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.

Original language	English
Pages (from-to)	117-120
Number of pages	4
Journal	Physica B: Condensed Matter
Volume	324
Issue number	1-4
DOIs	https://doi.org/10.1016/S0921-4526(02)01283-8
Publication status	Published - Nov 2002

Keywords

Atomic spectra
Crystal and ligand fields
Intensities and shapes of atomic spectral lines
Level splitting and interactions

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10.1016/S0921-4526(02)01283-8

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title = "An analysis of electronic bands of Cr3+ in tetragonal complexes",

abstract = "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]?4{\^E}[t22(3 T1)e4T2] and 4{\^A}2[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 2{\^A}1[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. {\textcopyright} 2002 Elsevier Science B.V. All rights reserved.",

keywords = "Atomic spectra, Crystal and ligand fields, Intensities and shapes of atomic spectral lines, Level splitting and interactions",

author = "Rahman, {H. U.}",

year = "2002",

month = nov,

doi = "10.1016/S0921-4526(02)01283-8",

language = "English",

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AU - Rahman, H. U.

PY - 2002/11

Y1 - 2002/11

N2 - 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.

AB - 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.

KW - Atomic spectra

KW - Crystal and ligand fields

KW - Intensities and shapes of atomic spectral lines

KW - Level splitting and interactions

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DO - 10.1016/S0921-4526(02)01283-8

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VL - 324

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EP - 120

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

IS - 1-4

ER -

An analysis of electronic bands of Cr³⁺ in tetragonal complexes

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Keywords

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