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Investigation of Gd2@C90, Gd2C2@C92, and Gd2@C79N by Raman Spectroscopy

Published online by Cambridge University Press:  31 January 2011

Brian G. Burke ,
Jack Chan ,
Keith A. Williams ,
Jiechao Ge ,
Chunying Shu ,
Wujun Fu ,
Harry C. Dorn ,
Alexander Puretzky  and
David Geohegan
Brian G. Burke
Affiliation:
[email protected], University of Virginia, Physics, Charlottesville, Virginia, United States
Jack Chan
Affiliation:
[email protected], University of Virginia, Physics, Charlottesville, United States
Keith A. Williams
Affiliation:
[email protected], University of Virginia, Physics, Charlottesville, Virginia, United States
Jiechao Ge
Affiliation:
[email protected], Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Chunying Shu
Affiliation:
[email protected], Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Wujun Fu
Affiliation:
[email protected], Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Harry C. Dorn
Affiliation:
[email protected], United States
Alexander Puretzky
Affiliation:
[email protected], Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge, Tennessee, United States
David Geohegan
Affiliation:
[email protected], Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge, Tennessee, United States
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Abstract

The structure and vibrational spectrum of Gd2 and Gd2C2 endofullerenes are studied through Raman spectroscopy and universal force field (UFF) calculations. Hindered rotations, shown by both theory and experiment, indicate the formation of a Gd–cage bond, which reduces the ideal symmetry of the cage. We have conducted Raman studies of Gd2@C90, Gd2@C79N, and Gd2C2@C92. We have also studied Y2C2@C92 for comparison. Several modes have been identified which provide information about the endohedral complex.

Keywords

GdRaman spectroscopyscanning tunneling microscopy (STM)
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1204: Symposium K – Nanotubes and Related Nanostructures-2009 , 2009 , 1204-K10-20
Copyright
Copyright © Materials Research Society 2010

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