Interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes

Abstract Carbon nanostructure compounds in an attractive variation of structures and wonderful forms have been synthesized and identified. One of these structures is the carbon nanotubes. These structures have several rings that share number of carbons. Study about properties of nanotubes with medicinal and electronic applications have been made the highly useful and effective results for applications in different areas of science. One of the main recognized structures of nanotubes is (5,5) single-walled tube (SWCN). Topological indices are the digital value combined with chemical constitution purporting for correlation of chemical structures with various chemical and physical properties that have constructed the effective and useful mathematical methods for finding good relationship between several data of the properties in these materials. One of the useful numerical and structural items in unsaturated compounds is degree of unsaturation (D U ) which is illustrated here. In this study, the relationship between this index (D U ), Fermi energy (E f ), chemical hardness, and relative energetic stability all show the length periodicity seen in the HOMO-LUMO gap, in contrast to the optical "charge transfer" transition are represented as some of the important properties of nanotubes (5,5) armchair SWCN. By the simple model presented here, in good approximation can calculate the structural and electronic properties of these nanotubes and can be used the approximated values in electronic structures and electrical properties studies of this type of nanotubes. The interesting results of relationship among D U and the properties of these nanotubes are presented

Toroidal Fullerenes from Square Tiled Tori #

Special issue dedicated to Professor Alexandru T. Balaban on the occasion of the 70 th birthda

Addition of HCl, Cl-2, CoCl2 and KI to fullerene-forming benzene oxygen argon flames

Gaseous HCl and Cl-2 as well as CoCl2 . 6H(2)O and KI dissolved in methanol were added to fullerene-forming flat benzene/oxygen/argon flames burning at 75 mbar. The soot formed in the flames was collected and analysed by mass spectrometry using chemical ionization with CH4/N2O. In the case of HCl or Cl-2 addition no formation of halogenated fullerenic compounds was observed, while the measurement of chlorine precursor mass spectra showed the formation of a great number of chlorine-containing compounds, essentially polycyclic aromatic hydrocarbons (PAHs). The addition of CoCl6 . 6H(2)O led to the formation of C60OHCl by means of ion-molecule reactions in the flame. After addition of CoCl2 . 6H(2)O or KI, molecular masses corresponding to metal fullerene compounds like CoC58, CoC84, CoC92 and CoC1.34 or K2C56 and K2C66 were observed