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

Abstract

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 {\rm (1 \rightarrow 4)} -linked oligosaccharides containing 1–6 d-glucopyranose (d-Glcp) 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-Glcp–SWNT complexes.

Keywords:

• Carbon nanotube
• Solvation parameter model
• Partition coefficient
• Relative dielectric permittivity
• Electron affinity
• Hydrophobicity pattern
• Colloids (Physicochemical Aspects)
• Detergents
• Soaps
• Surfactants
• Solvent extraction

Acknowledgements

The author acknowledges financial support from the Spanish MCT (Plan Nacional I+D+I, Project No. BQU2001-2935-C02-01) and Generalitat Valenciana (DGEUI Project Nos. INF01-051 and INFRA03-047).