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jj-coupling scheme by tensor operators and a thorough interpretation of the spectra of some nickel(II) complexes
- Date Issued:
- 2005
- Summary:
- The ligand field theory of complexes has been completely developed and the energy matrix elements for complexes in various geometries in different coupling schemes have been worked in considerable detail. However for many coupling schemes the computing of energy matrix elements is a tedious and laborious process. In the first part of my thesis we present a solution to the Weak-Field II problem using ladder operators and tensor operators. We used the Weak-Field II as an example to stress the complexity of computing energy matrix elements using ladder operators versus the simplicity of calculating matrix elements with tensor operators. Also the Weak-Field II was used as a model example hoping to be able to accomplish the same with the jj-II coupling scheme. In the last part of my thesis we present a derivation of simplifying expressions for the energy matrix elements for the d 2 complex in the jj-II coupling scheme. It is worth mentioning that the expressions derived can be applied to complexes other than octahedral and further they can be generalized for complexes with n-electrons in the valence shell. Finally, we present a thorough analysis of the electronic spectra of some Nickel(II) complexes.
Title: | The jj-coupling scheme by tensor operators and a thorough interpretation of the spectra of some nickel(II) complexes. |
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Name(s): |
Alves, Gelio. Florida Atlantic University, Degree grantor Perumareddi, Jayarama R., Thesis advisor |
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Type of Resource: | text | |
Genre: | Electronic Thesis Or Dissertation | |
Issuance: | monographic | |
Date Issued: | 2005 | |
Publisher: | Florida Atlantic University | |
Place of Publication: | Boca Raton, Fla. | |
Physical Form: | application/pdf | |
Extent: | 179 p. | |
Language(s): | English | |
Summary: | The ligand field theory of complexes has been completely developed and the energy matrix elements for complexes in various geometries in different coupling schemes have been worked in considerable detail. However for many coupling schemes the computing of energy matrix elements is a tedious and laborious process. In the first part of my thesis we present a solution to the Weak-Field II problem using ladder operators and tensor operators. We used the Weak-Field II as an example to stress the complexity of computing energy matrix elements using ladder operators versus the simplicity of calculating matrix elements with tensor operators. Also the Weak-Field II was used as a model example hoping to be able to accomplish the same with the jj-II coupling scheme. In the last part of my thesis we present a derivation of simplifying expressions for the energy matrix elements for the d 2 complex in the jj-II coupling scheme. It is worth mentioning that the expressions derived can be applied to complexes other than octahedral and further they can be generalized for complexes with n-electrons in the valence shell. Finally, we present a thorough analysis of the electronic spectra of some Nickel(II) complexes. | |
Identifier: | 9780542137662 (isbn), 13256 (digitool), FADT13256 (IID), fau:10111 (fedora) | |
Collection: | FAU Electronic Theses and Dissertations Collection | |
Note(s): |
Charles E. Schmidt College of Science Thesis (M.S.)--Florida Atlantic University, 2005. |
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Subject(s): |
Ligand field theory Quantum chemistry Stereochemistry |
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Held by: | Florida Atlantic University Libraries | |
Persistent Link to This Record: | http://purl.flvc.org/fcla/dt/13256 | |
Sublocation: | Digital Library | |
Use and Reproduction: | Copyright © is held by the author, with permission granted to Florida Atlantic University to digitize, archive and distribute this item for non-profit research and educational purposes. Any reuse of this item in excess of fair use or other copyright exemptions requires permission of the copyright holder. | |
Use and Reproduction: | http://rightsstatements.org/vocab/InC/1.0/ | |
Host Institution: | FAU | |
Is Part of Series: | Florida Atlantic University Digital Library Collections. |