Features of the chemical bonding in fluorinated and hydrogenated carbon: Nanotubes analysis of polarized NEXAFS spectra

The carbon K-edge NEXAFS spectra of initial and fluorinated and hydrogenated single-wall carbon nanotubes (SWCNTs) are analyzed theoretically with regard to the polarization dependence. Differences in the polarized theoretical spectra of SWCNTs with zigzag and chair chiralities are shown. As a result of the comparison of experimental and theoretical carbon K-edge NEXAFS spectra of hydrogenated and fluorinated SWCNTs it is found that it is most probable that hydrogen atoms attach to the outer surface of the tube wall and fluorine atoms to the outer and inner surfaces of the SWCNT wall. Based on the analysis of polarized theoretical spectra of fluorinated and hydrogenated SWCNTs differences in the symmetry of the final states of C-H and C-F bonds are shown.