Calculations on cyclopyranoses as co-solvents of single-wall carbon nanotubes

The properties of single-wall carbon nanotubes (SWNT) are classified in zigzag ( n ,0), armchair ( n , n ) and chiral ( n , m ). The solubility of SWNTs is investigated in a variety of solvents, finding a class of non-hydrogen-bonding Lewis bases that provide a good solubility. The investigated solvents are grouped into three classes. Categorized solubility is semiquantitatively correlated with solvent parameters. A MOPAC-AM1 and molecular modelling study of the linear and cyclic (1-->4) -linked oligosaccharides containing 1-6 d -glucopyranose ( d -Glc p ) units provides a clear conception of their overall conformations, their contact surfaces and their cavity proportions. This gives a first estimation of their inclusion properties. An expansion of the central channel is suggested for helical d -Glc p -SWNT complexes.