Assembly and properties of polyoxometalates: a theoretical point of view
Inorganic metal oxygen clusters, or polyoxometalates (POMs) for short, form a vast class of inorganic compounds that is unequaled in terms of their molecular and electronic structural versatility, reactivity, and relevance. POMs are formed by transition metals in high oxidation states (e.g. WVI, MoV...
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| Format: | doctoral thesis |
| Status: | Published version |
| Publication Date: | 2011 |
| Country: | España |
| Institution: | Universitat Rovira i virgili (URV) |
| Repository: | Repositori Institucional de la Universitat Rovira i Virgili |
| OAI Identifier: | oai:urv.cat:TDX:907 |
| Online Access: | https://hdl.handle.net/20.500.11797/TDX907 http://hdl.handle.net/10803/31933 |
| Access Level: | Open access |
| Keyword: | 546 - Química inorgànica 544 - Química física |
| Summary: | Inorganic metal oxygen clusters, or polyoxometalates (POMs) for short, form a vast class of inorganic compounds that is unequaled in terms of their molecular and electronic structural versatility, reactivity, and relevance. POMs are formed by transition metals in high oxidation states (e.g. WVI, MoVI) surrounded by oxo-ligands. In the present thesis we have studied the formation mechanisms of POMs, initially we have analized the case of the well known Lindqvist anion [M6O19]2– when M= W, Mo. Afterwards, we have considered the effect of the heteroatom in the formation mechanism analyzing the case of the Keggin anion, [XM12O40]n– when M=W, Mo and X=P, As. We have used electrospray-ionization mass spectrometry (ESI-MS) in order to obtain experimental information of molecular oxide clusters in solution. We have also studied the rotational isomerism in the Dawson anion [X2M18O62]n– and finally we present our improvements in the study 183W NMR chemical shifts. |
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