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Li Y, Chen JY, Lei X, et al. Comparison of Nuclear Spin Relaxation of H2O@C60 and H2@C60 and Their Nitroxide Derivatives. J Phys Chem Lett. 2012;3(9):1165-8doi: 10.1021/jz3002794.
Li, Y., Chen, J. Y., Lei, X., Lawler, R. G., Murata, Y., Komatsu, K., & Turro, N. J. (2012). Comparison of Nuclear Spin Relaxation of H2O@C60 and H2@C60 and Their Nitroxide Derivatives. The journal of physical chemistry letters, 3(9), 1165-8. https://doi.org/10.1021/jz3002794
Li, Yongjun, et al. "Comparison of Nuclear Spin Relaxation of H2O@C60 and H2@C60 and Their Nitroxide Derivatives." The journal of physical chemistry letters vol. 3,9 (2012): 1165-8. doi: https://doi.org/10.1021/jz3002794
Li Y, Chen JY, Lei X, Lawler RG, Murata Y, Komatsu K, Turro NJ. Comparison of Nuclear Spin Relaxation of H2O@C60 and H2@C60 and Their Nitroxide Derivatives. J Phys Chem Lett. 2012 May 03;3(9):1165-8. doi: 10.1021/jz3002794. Epub 2012 Apr 17. PMID: 26288052.
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J Phys Chem Lett. 2012 May 03;3(9):1165-8. doi: 10.1021/jz3002794. Epub 2012 Apr 17.

Comparison of Nuclear Spin Relaxation of H2O@C60 and H2@C60 and Their Nitroxide Derivatives.

The journal of physical chemistry letters

Yongjun Li, Judy Y-C Chen, Xuegong Lei, Ronald G Lawler, Yasujiro Murata, Koichi Komatsu, Nicholas J Turro

Affiliations

  1. †Department of Chemistry, Columbia University, New York, New York 10027, United States.
  2. ‡Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  3. §Institute for Chemical Research, Kyoto University, Kyoto 611-0011, Japan.
  4. ?Department of Environmental and Biological Chemistry, Fukui University of Technology, Gakuen, Fukui 910-8505, Japan.

PMID: 26288052 DOI: 10.1021/jz3002794

Abstract

The successful synthesis of H2O@C60 makes possible the study of magnetic interactions of an isolated water molecule in a geometrically well-defined hydrophobic environment. Comparisons are made between the T1 values of H2O@C60 and the previously studied H2@C60 and their nitroxide derivatives. The value of T1 is approximately six times longer for H2O@C60 than for H2@C60 at room temperature, is independent of solvent viscosity or polarity, and increases monotonically with decreasing temperature, implying that T1 is dominated by the spin-rotation interaction. Paramagnetic nitroxides, either attached covalently to the C60 cage or added to the medium, produce strikingly similar T1 enhancements for H2O@C60 and H2@C60 that are consistent with through-space interaction between the internal nuclear spins and the external electron spin. This indicates that it should be possible to apply to the endo-H2O molecule the same methodologies for manipulating the ortho and para spin isomers that have proven successful for H2@C60.

Keywords: H2@C60; H2O@C60; Host@guest; endofullerene; fullerene derivatives; fullerene nitroxides; proton relaxation

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