Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9582289 | Chemical Physics Letters | 2005 | 6 Pages |
Abstract
Synthesis, complete spectroscopic characterization and cyclic voltammetric measurements of a new didodecyloxybenzene-C60 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 â¼13° 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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
S. Shankara Gayathri, Archita Patnaik,