Absorption spectra and chirality of single-walled 4 Å carbon nanotubes.

Absorption spectrum of recently discovered single-walled 4 Å carbon nanotubes is measured. The semiempirical PM3 localized-density-matrix method is employed to evaluate the absorption spectra of three possible 4 Å single-walled carbon nanotubes, (3,3), (4,2), and (5,0). Both experimental and calculated results reveal that these nanotubes have finite optical gaps and strong anisotropic optical responses. When the electric field is perpendicular to the nanotubes, they are transparent to visible lights; and this is confirmed and explained by the calculations. Compared to the measured absorption spectrum, calculated absorption spectra are used to determine the chirality of the nanotubes synthesized in the channels of porous zeolites. [ABSTRACT FROM AUTHOR]