Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 115, Issue 5, Pages 735-740Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp110832m
Keywords
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Funding
- National Science Foundation [CHE 07-17518]
- NSF
- Japan Society for the Promotion of Science [20550122]
- Grants-in-Aid for Scientific Research [20550122] Funding Source: KAKEN
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [717518, 0754919] Funding Source: National Science Foundation
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Kinetic and thermodynamic properties of water encapsulation from organic solution by an open-cage [60]fullerene derivative have been investigated. 2D exchange NMR spectroscopy (EXSY) measurements were employed to determine the association and dissociation constants at 300 330 K (k(a) = 4.3 M-1 x s(-1) and k(d) = 0.42 s(-1) at 300 K) in 1,1,2,2-tetrachloroethane-d(2) as well as the activation energies (E-a,E-ass = 27 kJ mol(-1) E-a,E-diss 50 kJ mol(-1)). The equilibrium constants and thermodynamic parameters in various solvents (benzene-d(6), 1,2-dichlorobenzene-d(4), and dimethylsulfwdde-d(6)) were estimated using 1D-H-1 NMR spectroscopy. The parameters were dependent on the polarity of the solvent; Delta H depended linearly on the solvent polarity, becoming increasingly unfavorable as polarity increased. Mixtures of polar dimethylsulfoxide-do in less polar 1,1,2,2-tetrachloroethane-d(2) showed a similar trend.
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