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Ab initio quantum chemical study of selenium dioxide mediated allylic hydroxylation of alkenes

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dc.contributor.advisor Roy, Sudip en_US
dc.contributor.author RISHI, VARUN KUMAR en_US
dc.date.accessioned 2011-05-07T10:19:35Z
dc.date.available 2011-05-07T10:19:35Z
dc.date.issued 2011-05 en_US
dc.identifier.uri http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/120
dc.description.abstract The aim of the project was to study an organic reaction using ab-initio quantum chemical tools and apply the general ideas of physical chemistry to it. Selenium dioxide mediated allylic hydroxylation is a known reaction used to substitute hydroxyl group at allylic position of an alkene. The proposed mechanism of this reaction was verified for a simple substrate. This involved location of transition states on Potential Energy Surface (PES) and subsequently the energy profile of the reaction was constructed using the energies of the transition states. Furthermore an experimental study employing the same reaction showed a particular stereochemical preference amongst the isolated products. This particular observation was explained by applying the notion of thermodynamic and kinetic control to a constituent part of the reaction. en_US
dc.language.iso en en_US
dc.subject 2011
dc.subject Test1
dc.title Ab initio quantum chemical study of selenium dioxide mediated allylic hydroxylation of alkenes en_US
dc.type Thesis en_US
dc.type.degree BS-MS en_US
dc.contributor.department Dept. of Chemistry en_US
dc.contributor.registration 20061042 en_US


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  • MS THESES [1705]
    Thesis submitted to IISER Pune in partial fulfilment of the requirements for the BS-MS Dual Degree Programme/MSc. Programme/MS-Exit Programme

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