Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P.O. Box 22085, E-46071, València, Spain.
Nanoscale. 2011 Jun;3(6):2494-510. doi: 10.1039/c0nr00922a. Epub 2011 Feb 17.
Analysis of 1-octanol-water, cyclohexane-water and chloroform (CHCl(3))-water partition coefficients P(o-ch-cf) allows calculation of molecular lipophilicity patterns, which show that for a given atom log P(o-ch-cf) is sensitive to the presence of functional groups. Program CDHI does not properly differentiate between non-equivalent atoms. The most abundant single-wall carbon nanotube (SWNT), (10,10), presents a relatively small aqueous solubility and large elementary polarizability, P(o-ch-cf) and kinetic stability. The SWNT solubility is studied in various solvents, finding a class of non-hydrogen-bonding Lewis bases with good solubility. Solvents group into three classes. The SWNTs in some organic solvents are cationic while in water/Triton X mixture are anionic. Categorized solubility is semiquantitatively correlated with solvent parameters. The coefficient of term β is positive while the ones of ε and V negative. The electron affinity of d-glucopyranoses (d-Glcp(n)) suggests the formation of colloids of anionic SWNTs in water. Dipole moment for d-Glcp(n)-linear increases with n until four in agreement with 18-fold helix. The I(n)(z-) and SWNT(-) are proposed to form inclusion complexes with cyclodextrin (CD) and amylose (Amy). Starch, d-Glcp, CD and Amy are proposed as SWNT co-solvents. Guests-hosts are unperturbed. A central channel expansion is suggested.
1-辛醇-水、环己烷-水和氯仿(CHCl(3))-水分配系数 P(o-ch-cf) 的分析允许计算分子亲脂性模式,表明对于给定的原子,log P(o-ch-cf) 对功能基团的存在敏感。CDHI 程序不能正确区分不等效原子。最丰富的单壁碳纳米管 (SWNT),(10,10),具有相对较小的水溶解度和较大的基本极性、P(o-ch-cf) 和动力学稳定性。研究了 SWNT 在各种溶剂中的溶解度,发现了一类具有良好溶解度的非氢键 Lewis 碱。溶剂分为三类。在一些有机溶剂中的 SWNTs 是阳离子的,而在水/Triton X 混合物中是阴离子的。分类溶解度与溶剂参数呈半定量相关。系数β为正,而ε和 V 为负。d-吡喃葡萄糖(d-Glcp(n))的电子亲和力表明在水中形成阴离子 SWNT 的胶体。d-Glcp(n)-线性的偶极矩随 n 线性增加,直到 4 个,与 18 倍螺旋一致。提出 I(n)(z-) 和 SWNT(-)与环糊精 (CD) 和直链淀粉 (Amy) 形成包合物。淀粉、d-Glcp、CD 和 Amy 被提议作为 SWNT 的共溶剂。客体-主体不受干扰。建议中央通道扩张。