IISc Logo    Title

etd AT Indian Institute of Science >
Division of Chemical Sciences >
Organic Chemistry (orgchem) >

Please use this identifier to cite or link to this item: http://hdl.handle.net/2005/245

Title: Computational Studies On Some Plausible Structures Of The Hydrides And Oxyhydrides Of [36-D6h] Fullerene
Authors: Paul, Ankan
Advisors: Jayaraman, Chandrasekhar
Submitted Date: May-2001
Publisher: Indian Institute of Science
Abstract: 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.
URI: http://hdl.handle.net/2005/245
Appears in Collections:Organic Chemistry (orgchem)

Files in This Item:

File Description SizeFormat
G16257.pdf1.35 MBAdobe PDFView/Open

Items in etd@IISc are protected by copyright, with all rights reserved, unless otherwise indicated.

 

etd@IISc is a joint service of SERC & IISc Library ||
Feedback
|| Powered by DSpace || Compliant to OAI-PMH V 2.0 and ETD-MS V 1.01