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Theoretical Studies Of Fullerenes And Fullerene Derivatives

The detection of Ceo and Cro in 1985 and the subsequent development of a preparative procedure have opened up a new area of research in carbon chemistry. The study of physico-chemical properties of these molecules is currently being pursued with great interest. The goal of the present thesis is to provide simple generalization concerning the structure and bonding which would be of useful interpretive value in understanding the reactivity patterns. The stability of a large number of derivatives have been examined at uniform levels of semiempirical MO theories. The results are shown to be consistent with simple localized bonding model of molecular and electronic structure of Ceo and Cro. Additional factors influencing the relative stabilities of fullerene derivatives are also analysed.

Identiferoai:union.ndltd.org:IISc/oai:etd.ncsi.iisc.ernet.in:2005/111
Date11 1900
CreatorsRathna, A
ContributorsChandrasekhar, J
PublisherIndian Institute of Science
Source SetsIndia Institute of Science
LanguageEnglish
Detected LanguageEnglish
TypeElectronic Thesis and Dissertation
Format11709923 bytes, application/pdf
RightsI grant Indian Institute of Science the right to archive and to make available my thesis or dissertation in whole or in part in all forms of media, now hereafter known. I retain all proprietary rights, such as patent rights. I also retain the right to use in future works (such as articles or books) all or part of this thesis or dissertation.

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