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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
Affiliation:
bgb9q@virginia.edu, University of Virginia, Physics, Charlottesville, Virginia, United States
Jack Chan
Affiliation:
twc5x@virginia.edu, University of Virginia, Physics, Charlottesville, United States
Keith A. Williams
Affiliation:
kwilliams@virginia.edu, University of Virginia, Physics, Charlottesville, Virginia, United States
Jiechao Ge
Affiliation:
gjiechao@vt.edu, Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Chunying Shu
Affiliation:
shucy06@gmail.com, Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Wujun Fu
Affiliation:
wjfu@vt.edu, Virginia Polytechnic Institute and State University, Chemistry, Blacksburg, Virginia, United States
Harry C. Dorn
Affiliation:
hdorn@vt.edu, United States
Alexander Puretzky
Affiliation:
puretzkya@ornl.gov, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, Oak Ridge, Tennessee, United States
David Geohegan
Affiliation:
geohegandb@ornl.gov, 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.

Type
Research Article
Copyright
Copyright © Materials Research Society 2010

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