Optically active nanoparticles: Fullerenes, carbon nanotubes, and metal nanoparticles

Abstract

, Phone: þ52 55 5622 5106, Fax: þ52 55 5616 1535A brief topical review of the optical activity of fullerenes, carbon nanotubes, and metallic clusters, is given. Using a recently developed first-principles formalism, the particular case of the optical activity of the chiral C 84 fullerene with D 2 symmetry is studied in detail. In particular, the optical activity of the four possible isomers with this symmetry is studied by calculating the electronic circular dichroism (CD) and compared with experimental data. Although a similar line shape is found for the lowest-energy isomer, the width and intensity of the main experimental peaks are not well reproduced. On the other hand, it is found that the average CD of the mixture of the three lower-energy isomers is in better agreement with experiments. It is expected that this review would be useful as an introduction to optical activity at the nanometer scale, and motivate further experimental studies and the interpretation of natural optical activity in nanoparticles.Calculated CD of a mixture of different isomers of the fullerene C 84 with D 2 symmetry by using DFT and its comparison with experiment.

Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes

“…There are 24 isolated pentagon rule obeying isomers of C 84 , from which the common and stable isomer with D 2 point group symmetry is number 22, using standard nomenclature [1]. All spectra are reported for the f C-D 2 -C 84 (22) configuration [32].…”

Chiral supramolecular nanoparticles: The study of chiral surface modification of silver nanoparticles by cysteine and its derivatives

“…A considerable attention has been devoted to the optical activity or chirality of nanoparticles [1][2][3] noble metals nanoparticles particularly [4,5]. This property is usually measured on rather complicated systems of metal nanoparticles and organic ligands adsorbed on the surface and few mechanism of optical activity origin were proposed [6,7].…”

Ab Initio Electronic Circular Dichroism of Fullerenes, Single‐Walled Carbon Nanotubes, and Ligand‐Protected Metal Nanoparticles

“…The DFT CD in red in the top plot of Figure corresponds to our calculation of isomer 22 (DFT(1)), which is scaled by a factor of 1/20 and blue‐shifted by 0.55 eV. According to DFT molecular dynamics calculations, isomer 22 is the one of lowest energy and is also the isomer that better resembles the experimental CD spectrum . However, it partly agrees with the experimental curve (black dotted line).…”