Thesis
Correlated ab initio approaches to metal-metal bonding in the tricobalt extended metal atom chains
- Abstract:
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The extended metal atom chains are a family of complexes with a linear, metallic chain surrounded by four equatorial polydentate ligands and capped by two axial ligands. The tricobalt extended metal atom chains studied in this work have a trimetallic core with halide axial ligands: the fluoride, chloride, bromide and iodide complexes. In this work we adopt correlated ab initio approaches (DFT and MCSCF) to the study of the metal-metal bonding between the cobalt atoms in the chain.
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- Files:
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(Preview, Archive version, pdf, 30.4MB, Terms of use)
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Authors
Contributors
+ McGrady, J
- Role:
- Supervisor
- ORCID:
- 0000-0002-8991-1921
+ Cox, H
- Institution:
- University of Sussex
- Division:
- MPLS
- Department:
- Chemistry
- Sub department:
- Physical & Theoretical Chem
- Role:
- Examiner
+ Wilson, M
- Role:
- Examiner
+ Engineering and Physical Sciences Research Council
More from this funder
- Funder identifier:
- http://dx.doi.org/10.13039/501100000266
- Funding agency for:
- Lamb, JA
- Grant:
- EP/L015722/1
- Programme:
- Theory and Modelling in Chemical Sciences
- DOI:
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- University of Oxford
- Language:
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English
- Keywords:
- Subjects:
- Deposit date:
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2020-06-24
- ARK identifier:
Terms of use
- Copyright holder:
- Lamb, JA
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