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The Fullerene Neighbours

Published online by Cambridge University Press:  15 February 2011

Z. Slanina ,
M.-L. Sun ,
S.-L. Lee  and
L. Adamowicz
Z. Slanina
Affiliation:
Department of Chemistry, National Chung-Cheng University, Ming-Hsiung, Chia-Yi 621, Taiwan On a leave of absence from the Academy of Sciences of the Czech Repubic, Prague
M.-L. Sun
Affiliation:
Department of Chemistry, National Chung-Cheng University, Ming-Hsiung, Chia-Yi 621, Taiwan
S.-L. Lee
Affiliation:
Department of Chemistry, National Chung-Cheng University, Ming-Hsiung, Chia-Yi 621, Taiwan
L. Adamowicz
Affiliation:
Departnment of Chemistry, The University of Arizona, Tucson, AZ 85721, USA
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Abstract

Semiempirical quantum-chemical calculations are reported for the fullerenic structures C60, Si60, Ge60, N60; B36N24, B36P24, A136N24, A136P24; and various BnNn A new route towards B/N clusters is considered, being based on squares and hexagons. The pattern always requires six squares. The route can produce species of similar or even higher stability comparing to the conventional pentagon/hexagon pattern. Four particular stoichiometries emerge from the available AM1 computations: B12N12, B28N28, B36N36, and B36 N24.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 359: Symposium G – Science and Technology of Fullerene Materials , 1994 , 175
Copyright
Copyright © Materials Research Society 1995

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