Date of Award
2005
Document Type
Thesis
Publication Status
Version of Record
Submission Date
October 2026
Abstract
In the first-part of this two-part study, the quadrate energy levels of the d3 configuration including spin-orbit interaction are derived in the rare-earth coupling scheme using ligand-field symmetry parameters Dq, Ds, and Dt, by the method of tensor-operators. Comparison is made to the strong field coupling scheme. In the second part of this study, interpretation of polarised single-crystal spectra of trans-[Cr(tmd)2F2]ClO4, trans-[Cr(en)2(dma)2](ClO4) 3, trans-[Cr(en)2(dmf)Br](ClO4) 2 and trans-[Cr(en)2(dmf)Cl](ClO4) 2 as well as unpolarised single-crystal spectrum of trans-[Cr(en) 2(dmf)2](ClO4)3 and solution spectra of trans-[Cr(pn)(en)F2]ClO4, trans-[Cr(en)2FCl]ClO4 and trans-[Cr(en) 2FBr]ClO4 is made using Gaussian analysis of the bands in both polarisations where possible. Ligand field parameters Dq, Ds, Dt and B are extracted from the spectra using energy matrices in the strong-field coupling scheme by fitting the quadrate components of the two lowest energy cubic quartet bands exactly. Discussion of these parameters and the translated AOM (angular overlap model) parameters, is presented. A thorough interpretation of the high-energy intraconfigurational doublet bands in a number of trans-diacidobis (ethylenediamine) chromium (111) complexes is made using quadrate energy matrices including spin-orbit interaction. Entire programming code for the energy matrices in the rare-earth coupling scheme is included, as are procedures for computing 3-j and 6-j symbols. The complete quadrate energy matrices for d3 configuration in the strong-field coupling scheme with spin-orbit perturbation as well quadrate energy matrices for d3 configuration in the rare-earth coupling scheme are included.
Extent
167 p.
Recommended Citation
Williams, Chamindra S., "d(3,7) non-cubic ligand field spectrum and the electronic spectra of quadrate chromium (III) complexes" (2005). Electronic Theses and Dissertations 2000 - 2009. 832.
https://digitalcommons.fau.edu/etd_general_5/832
Identifier
FADT12180
Comments
FAU Electronic Theses and Dissertations Collection|Adviser: J. R. Perumareddi.|Thesis (Ph.D.)--Florida Atlantic University, 2005.|FAU Electronic Theses and Dissertations Collection