This submission belongs to the session f. Supramolecular Chemistry of the event The 8th International Electronic Conference on Synthetic Organic Chemistry
Published date
01 Nov, 2004
Citation
Francisco Torrens, Calculations on Solvents and Co Solvents of Single-Wall Carbon Nanotubes: Cyclopyranoses, in Proceedings of The 8th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2004, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-8-01993
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Calculations on Solvents and Co Solvents of Single-Wall Carbon Nanotubes: Cyclopyranoses
Francisco Torrens 1
1. Institut Universitari de Ciència Molecular, Universitat de València, Dr. Moliner 50, E-46100 Burjassot (València), Spain
Abstract
1-Octanol–, cyclohexane– and chloroform–water partition coefficients (Po, Pch and Pcf) allow calculating molecular lipophilicity patterns, which show that, for a given atom, normalized logPo–ch–cf are sensitive to the presence in the molecule of other atoms–groups, e.g., C70, where logPa–c atomic contributions are greater than logPd–e are. CDHI does not differentiate non-equivalent atoms. (10,10) Single-wall carbon nanotube (SWNT), the most favourite SWNT, presents consistency between a relatively small aqueous solubility and great Po–ch–cf. SWNT solubility is studied in various solvents, finding a class of non-hydrogen-bonding Lewis bases with good solubility. Solvents grouped in three classes. SWNTs in some organic solvents are positively charged, while in water–Triton X are negative.
Keywords
solvation parameter model
partition coefficient
electron affinity
molecular lipophilicity pattern
hydrophobicity pattern
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