Gayathri, S. S. and Patnaik, A. (2005) A new fullerene C-60-didodecyloxy benzene dyad: An evidence for ground state electron transfer. CHEMICAL PHYSICS LETTERS, 414 (1-3). pp. 198-203. ISSN 0009-2614
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Synthesis, complete spectroscopic characterization and cyclic voltammetric measurements of a new didodecyloxybenzene-C-60 dyad is described. The dyad showed distinct ground state intramolecular charge transfer as predicted from molecular orbital calculations and complimented by absorption and fluorescence spectroscopic behavior along with cyclic voltammetric studies, in solvents of varying polarity. The ab initio B3LYP/3-21G(d) electronic structure calculations are indicative of a non-planar ground state structure, 8 kJ/mol lower in energy than the planar structure. A similar to 13 degrees dihedral angle between the benzene ring and the oxygen of the alkoxybenzene moieties of the dyad is attributed to the antibonding interactions associated with the HOMO components. (c) 2005 Elsevier B.V. All rights reserved.
|Subjects:||Physical Science > Nanophysics|
Physical Science > Nano objects
Material Science > Nanochemistry
Material Science > Nanostructured materials
|Divisions:||Faculty of Engineering, Science and Mathematics > School of Physics|
Faculty of Engineering, Science and Mathematics > School of Chemistry
|Deposited On:||09 Sep 2009 06:16|
|Last Modified:||09 Sep 2009 06:16|
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