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Computational Studies On Some Plausible Structures Of The Hydrides And Oxyhydrides Of [36-D6h] Fullerene

Electronic Theses of Indian Institute of Science

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Title Computational Studies On Some Plausible Structures Of The Hydrides And Oxyhydrides Of [36-D6h] Fullerene
 
Creator Paul, Ankan
 
Subject Organic Chemistry
Fullerenes
C36
 
Description Fullerenes, the highly symmetric molecular carbon clusters, have been in the limelight of scientific research since their discovery by Kroto and coworkers [1]. The focus of experimental and theoretical studies has centered on C60 and, to a lesser extent, on C70. A few larger counterparts have also been characterized [2]. It is generally believed that the cage compounds with adjacent pentagons are unstable (the so-called 'isolated pentagon rule': IPR) [3]. The smallest possible fullerene which satisfies the IPR is C60. Fullerenes smaller than C60 will necessarily have pentagons fused side by side and hence they are predicted to be unstable. While violations of the isolated pentagon rule have been suggested [4], the inability to achieve macroscopic synthesis of smaller fullerenes seemed to be in accord with their predicted instability. In a dramatic development, Zettl and coworkers [5] reported the synthesis and purification of C36. Their achievement led to increased activity in elucidating the properties of C36, both experimentally and theoretically.
 
Publisher Indian Institute of Science
 
Contributor Jayaraman, Chandrasekhar
 
Date 2006-11-23T04:48:45Z
2006-11-23T04:48:45Z
2006-11-23T04:48:45Z
2001-05
 
Type Electronic Thesis and Dissertation
 
Format 1386140 bytes
application/pdf
 
Identifier http://etd.iisc.ernet.in/handle/2005/245
null
 
Language en
 
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