Diborane-tetraborane conversion in C-60 vesicles - a theoretical study

Turker L.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol.26, no.8, pp.837-842, 2001 (SCI-Expanded) identifier identifier


Diborane-tetraborane conversion in a C-60 cage is theoretically considered by using AM1-RHF type semiempirical quantum chemical approach. Molecular orbital characteristics of some endohedrally boron hydride doped C-60 composite systems are investigated and the likeliness of diborane-tetraborane conversion in a C-60 vesicle for the purpose of hydrogen storage is discussed. (C) 2001 International Association for Hydrogen Energy. Published by Elsevier Science Ltd. All rights reserved.