High Pressure NMR in Solutions

Masaru Nakahara

doi:10.4131/jshpreview.1.195

Masaru Nakahara

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JOURNAL FREE ACCESS

1992 Volume 1 Issue 3 Pages 195-203

DOI https://doi.org/10.4131/jshpreview.1.195

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Published: August 20, 1992 Received: June 11, 1992 Available on J-STAGE: August 07, 2009 Accepted: - Advance online publication: - Revised: -
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Date of correction: August 07, 2009 Reason for correction: - Correction: CITATION Details: Wrong : [1] F. Bloch: Phys. Rev. , 70, 460-74 (1946), “Nuclear induction. ”
[2] E. M. Purcell, R. V. Pound, N. Bloembergen: Phys. Rev. , 73, 37-8 (1946), “Resonance absorption by nuclear magnetic moments in a solid”; ibid. , 73, 986-7 (1946), “Nucler magnetic resonance absorption in hydrogen gas. ”
[3] G. B. Benedek, E. M. Purcell: J. Chem. Phys. , 22, 2003- 12 (1954), “Nuclear magnetic resonance in liquids under high prssure. ”
[4] G. B. Benedek: Magnetic Resonance at High Pressure, Interscience, New York, 1963.
[5] J. A. S. Smith: in High Pressure Physics and Chemistry, ed. , R. S. Bradley, Academic Press, New York, 1963, Vol. 2, Chap. 10. i, “Radiofrequency spectroscopy at high pressures. ”
[6] R. R. Ernst, W. A. Anderson: Rev. Sci. Instrum. , 37, 93-102 (1966), “Application of Fourier transform to magnetic resonance. ”
[7] J. Jonas: Adv. Magn. Reson. , 6, 73-139 (1973), “NMR studies in liquids at high pressure . ”
[8] J. Jonas: Annu. Rev. Phys. Chem. , 26, 167-90 (1975), “Nuclear magnetic resonance at high pressures. ”
[9] J. Jonas: Rev. Phys. Chem. Jpn. , 50, 19-35 (1980), “Nuclear magnetic resonance studies at high pressures. ”
[10] J. Jonas: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 3, “High-pressure NMR studies of dynamics in liquids and complex systems. ”
[11] H. G. Hertz, C. R Rädle: Z. Phys. Chem. N. F. (Frankfurt), 68, 324-6 (1969), "The pressure dependence of the proton relaxation time of water at 0°C. "
[12] J. G. Oldenziel, N. J. Trappeniers: Physica, 82 A, 565-580 (1976), “High resolution nuclear magnetic resonance spectroscopy in liquids and gases at pressures up to 2500 bar. ”
[13] K. O. Prins: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 2, “High-pressure NMR investigations of motion and phase transitions in molecular systems. ”
[14] H. Vanni, W. L. Earl, A. E. Merbach: J. Magn. Reson. , 29, 11-9 (1978), “Two approaches to high-resolution high nuclear magnetic resonance. ”
[15] J. W. Akitt, A. E. Merbach: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 5, “High resolution variable pressure NMR for chemical kinetics. ”
[16] T. Hasebe, G. Soda, H. Chihara: Bull. Chem. Soc. Jpn. , 54, 2583-6 (1981), “Pressure and temperature dependence of NMR spin - lattice relaxation in plastic 2, 2-dimethylpropionic acid. ”
[17] M. Ishii, S. Funahashi, K. Ishihara, M. Tanaka; Bull. Chem. Soc. Jpn. , 62, 1852-8 (1989), “Variable-temperature and variable-pressure nitrogen-14 NMR studies on the exchange reaction of different nitrides at the nickel (II) ion. ”
[18] R. van Eldik (Ed) : Inorganic High Pressure Chemisty, Elsevier, Amsterdam, 1986.
[20] T. F. DeFries, J. Jonas: J. Magn. Reson. , 36, 111-9 (1979), “NMR probe for high-pressure and high-temperature experiments. ”
[21] S. Shimokawa, E . Yamada: J. Magn. Reson. , 51, 103-9 (1983), "A ¹³C NMR probe for hightemperature and high-pressure experiments. "
[22] S. Shimokawa, E. Yamada, K. Makino: Bull. Chem. Soc. Jpn. , 56, 412-5 (1983), “A simple pressurized high - temperature proton NMR apparatus for the thermal degradation of polymers. ”
[23] S. Shimokawa, H. Maekawa, E. Yamada, T. Maekawa, Y. Nakamura, T. Yokokawa: Chem. Lett. , 617-20 (1990), "A high temperature (1200°C) probe for NMR experiments and its application to silicate melts. "
[25] R. Kubo: J. Phys. Soc. Jpn. , 12, 570-86 (1957), “Statistical-mechanical theory of irreversible processes. I. General theory and simpie application to magnetic and conduction problems. ”
[26] H. Yamada: Chem. Lett. , 747-50 (1972), “High resolution NMR measurement under pressure and the pressure dependence of the proton chemical shifts. ”
[27] H. Yamada: Rev. Sci. Instr. , 45, 640-2 (1974), “Pressure resisting glass cell for high pressure, high resolution NMR measurement. ”
[28] H. Yamada: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 6, “Glass cell method for high pressure, highresolution NMR measurements. Applications to the studies of pressure effects on molecular conformation and structure. ”
[29] U. Gaarz, H. -D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 80, 607-14 (1976), "Pressure dependence of the self-association of 9-meth-ylpurine in aqueous solution. "
[30] G. Volkel, E. Lang, H. -D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 83, 722-9 (1979), "High-pressure high-resolution nuclear magnetic resonance III - Concentration dependence of ΔV^‡ for the rotation of the dimethylamino group in aqueous solutions of some N, N-dimethylamides. "
[31] T. Asano: in Organic High Pressure Chemistry, ed. W. J. le Noble, Elsevier, Amsterdam, 1988, Chap. 5, “Stereoisomerizations. ”
[32] E. W. Lang, H. - D. Lüdemann: High Pressure NMR, ed. J. Jonas, Springer - Verlag, Berlin, 1991, Chap. 3, "High pressure NMR studies on water and aqueous solutions. "
[33] E. W. Lang, H. - D. Lüdemann: J. Chem. Phys. , 67, 718-23 (1977), "Pressure and temperature dependence of the longitudinal proton relaxation times in supercooled water to-87°C and 2500 bar. "
[34] E. W. Lang, H. -D. Lüdemann: Ber. Bunsenges . Phys. Chem. , 85, 603-11 (1981), "High pressure O-17 longitudinal relaxation time studies in supercooled H₂O and D₂O. "
[35] E. W. Lang, H. -D. Lüdemann, L. Piculell: J. Chem. Phys. , 81, 3820-7 (1984), "Nuclear magnetic relaxation rate dispersion in supercooled heavy water under high pressure. "
[36] E. W. Lang, D. Girlich, H. -D. Lüdemann, L. Piculell, D. Muller: J. Chem. Phys. , 93, 4796-803 (1990), "Proton-spin-lattice relaxation rate in supercooled H₂O and H₂¹⁷O under high pressure. "
[37] E. W. Lang, H. - D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 89, 508-16 (1985), "p, T, c-Dependence of ²H spin-lattice relaxation rates in supercooled LiCI-D₂O solutions. "
[38] I. Morishima, S. Ogawa, H. Yamada: J. Am. Chem. Soc. , 101, 7074-6 (1979), “Nuclear magnetic resonance studies of the effects of pressure on the heme environmental structure of hemoproteins. ”
[39] I. Morishima, S. Ogawa, H. Yamada: J. Biochemistry, 19, 1569-75 (1980), “High-pressure proton nuclear magnetic resonance studies of hemeproteins. Pressure-induced structural change in heme environments of myoglobin, hemoglobin, and horseradish peroxidase. ”
[41] D. C. Roe: J. Magn. Reson. , 63, 388-91 (1985), “Sapphire NMR tube for high-resolution studies at elevated pressure. ”
[42] J. Jonas: Rev. Sci. Instr. , 43, 643-9 (1972), “Nuclear magnetic resonance measurements at high pressure. ”
[43] J. Jonas, D. L. Hasha, W. J. Lamb, G. A. Hoffman, T. Eguchi: J. Man. Reson. , 42, 169-72 (1981), “High-resolution probe for NMR measurements at high pressure and high fields. ”
[44] D. L. Pisaniello, L. Helm, P. Meier, A. E. Mer-bach: J. Am. Chem. Soc. , 105, 4528-36 (1983), “Variable pressure and temperatrure nuclear magnetic resonance and visible spectrophotometric studies of lanthanide ions in dimethylformamide: Solvation and solvent exchange dynamics. ”
[45] (a) M. Nakahara, M. Zenke, M. Ueno, K. Shimizu: J. Chem. Phys. , 83, 280-7 (1985), “Solvent isotope effect on ion mobility in water at high pressure. Conductance and transference number of potassium chloride in compressed heavy water. ” (b) M. Ueno, A. Yoneda, N. Tsuchihashi, K. Shimizu: J. Chem. Phys. , 86, 678-83 (1987), “Solvent isotope effect on mobilities of potassium and chloride ions in water at high pressure. II. A low temperature study. ”
[46] L. A. Wolf: J. C. S. Faraday I, 72, 1267-73 (1976), "Tracer diffusion of tritiated (DTO) heavy water (D₂O) under pressure. "
[48] (a) Y. Lee and J. Jonas: J. Chem. Phys. , 57, 4233-40 (1972), “Density effects on the dynamic structure of liquid deuterium oxide. ” (b) Y. Lee, J. Jonas: J. Chem. Phys. , 59, 4845-54 (1973), “Pressure and concentration effects on the molecular reorientation in water-dioxane mix-tures. ” (c) J. Jonas, T. DeFries, and D. J. Wilbur: J. Chem. Phys. , 65, 582-8 (1976), “Molecular motions in compressed liquid water. ”
[49] G. A. Gaballa, G. W. Neilson: Mol. Phys. , 50, 97-111 (1983), “The effect of pressure on the structure of light and heavy water. ”
[50] M. Nakahara and J. Osugi: Rev. Phys. Chem. Jpn. , 50, 66-78 (1980), “The water structure and proton conductance at high pressure. ”
[51] M. Nakahara, C. Wakai: Chem. Lett. , 809-12 (1992), “Monomeric and cluster states of water molecules in organic solvent. ”
[52] M. Nakahara, C. Wakai: J. Chem. Phys. , in press, “Inertial and attractive potential effects on rotation of solitary water molecules in apolar and polar solvents. ”

Right : [1] F. Bloch: Phys. Rev. , 70, 460-74 (1946), “Nuclear induction. ”
[2] E. M. Purcell, R. V. Pound, N. Bloembergen: Phys. Rev. , 73, 37-8 (1946), “Resonance absorption by nuclear magnetic moments in a solid”; ibid. , 73, 986-7 (1946), “Nucler magnetic resonance absorption in hydrogen gas. ”
[3] G. B. Benedek, E. M. Purcell: J. Chem. Phys. , 22, 2003- 12 (1954), “Nuclear magnetic resonance in liquids under high prssure. ”
[4] G. B. Benedek: Magnetic Resonance at High Pressure, Interscience, New York, 1963.
[5] J. A. S. Smith: in High Pressure Physics and Chemistry, ed. , R. S. Bradley, Academic Press, New York, 1963, Vol. 2, Chap. 10. i, “Radiofrequency spectroscopy at high pressures. ”
[6] R. R. Ernst, W. A. Anderson: Rev. Sci. Instrum. , 37, 93-102 (1966), “Application of Fourier transform to magnetic resonance. ”
[7] J. Jonas: Adv. Magn. Reson. , 6, 73-139 (1973), “NMR studies in liquids at high pressure . ”
[8] J. Jonas: Annu. Rev. Phys. Chem. , 26, 167-90 (1975), “Nuclear magnetic resonance at high pressures. ”
[9] J. Jonas: Rev. Phys. Chem. Jpn. , 50, 19-35 (1980), “Nuclear magnetic resonance studies at high pressures. ”
[10] J. Jonas: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 3, “High-pressure NMR studies of dynamics in liquids and complex systems. ”
[11] H. G. Hertz, C. R Rädle: Z. Phys. Chem. N. F. (Frankfurt), 68, 324-6 (1969), "The pressure dependence of the proton relaxation time of water at 0°C. "
[12] J. G. Oldenziel, N. J. Trappeniers: Physica, 82 A, 565-580 (1976), “High resolution nuclear magnetic resonance spectroscopy in liquids and gases at pressures up to 2500 bar. ”
[13] K. O. Prins: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 2, “High-pressure NMR investigations of motion and phase transitions in molecular systems. ”
[14] H. Vanni, W. L. Earl, A. E. Merbach: J. Magn. Reson. , 29, 11-9 (1978), “Two approaches to high-resolution high nuclear magnetic resonance. ”
[15] J. W. Akitt, A. E. Merbach: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 5, “High resolution variable pressure NMR for chemical kinetics. ”
[16] T. Hasebe, G. Soda, H. Chihara: Bull. Chem. Soc. Jpn. , 54, 2583-6 (1981), “Pressure and temperature dependence of NMR spin - lattice relaxation in plastic 2, 2-dimethylpropionic acid. ”
[17] M. Ishii, S. Funahashi, K. Ishihara, M. Tanaka; Bull. Chem. Soc. Jpn. , 62, 1852-8 (1989), “Variable-temperature and variable-pressure nitrogen-14 NMR studies on the exchange reaction of different nitrides at the nickel (II) ion. ”
[18] R. van Eldik (Ed) : Inorganic High Pressure Chemisty, Elsevier, Amsterdam, 1986.
[20] T. F. DeFries, J. Jonas: J. Magn. Reson. , 36, 111-9 (1979), “NMR probe for high-pressure and high-temperature experiments. ”
[21] S. Shimokawa, E . Yamada: J. Magn. Reson. , 51, 103-9 (1983), "A ¹³C NMR probe for hightemperature and high-pressure experiments. "
[22] S. Shimokawa, E. Yamada, K. Makino: Bull. Chem. Soc. Jpn. , 56, 412-5 (1983), “A simple pressurized high - temperature proton NMR apparatus for the thermal degradation of polymers. ”
[23] S. Shimokawa, H. Maekawa, E. Yamada, T. Maekawa, Y. Nakamura, T. Yokokawa: Chem. Lett. , 617-20 (1990), "A high temperature (1200°C) probe for NMR experiments and its application to silicate melts. "
[25] R. Kubo: J. Phys. Soc. Jpn. , 12, 570-86 (1957), “Statistical-mechanical theory of irreversible processes. I. General theory and simpie application to magnetic and conduction problems. ”
[26] H. Yamada: Chem. Lett. , 747-50 (1972), “High resolution NMR measurement under pressure and the pressure dependence of the proton chemical shifts. ”
[27] H. Yamada: Rev. Sci. Instr. , 45, 640-2 (1974), “Pressure resisting glass cell for high pressure, high resolution NMR measurement. ”
[28] H. Yamada: in High Pressure NMR, ed. J. Jonas, Springer-Verlag, Berlin, 1991, Chap. 6, “Glass cell method for high pressure, highresolution NMR measurements. Applications to the studies of pressure effects on molecular conformation and structure. ”
[29] U. Gaarz, H. -D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 80, 607-14 (1976), "Pressure dependence of the self-association of 9-meth-ylpurine in aqueous solution. "
[30] G. Volkel, E. Lang, H. -D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 83, 722-9 (1979), "High-pressure high-resolution nuclear magnetic resonance III - Concentration dependence of ΔV^‡ for the rotation of the dimethylamino group in aqueous solutions of some N, N-dimethylamides. "
[31] T. Asano: in Organic High Pressure Chemistry, ed. W. J. le Noble, Elsevier, Amsterdam, 1988, Chap. 5, “Stereoisomerizations. ”
[32] E. W. Lang, H. - D. Lüdemann: High Pressure NMR, ed. J. Jonas, Springer - Verlag, Berlin, 1991, Chap. 3, "High pressure NMR studies on water and aqueous solutions. "
[33] E. W. Lang, H. - D. Lüdemann: J. Chem. Phys. , 67, 718-23 (1977), "Pressure and temperature dependence of the longitudinal proton relaxation times in supercooled water to-87°C and 2500 bar. "
[34] E. W. Lang, H. -D. Lüdemann: Ber. Bunsenges . Phys. Chem. , 85, 603-11 (1981), "High pressure O-17 longitudinal relaxation time studies in supercooled H₂O and D₂O. "
[35] E. W. Lang, H. -D. Lüdemann, L. Piculell: J. Chem. Phys. , 81, 3820-7 (1984), "Nuclear magnetic relaxation rate dispersion in supercooled heavy water under high pressure. "
[36] E. W. Lang, D. Girlich, H. -D. Lüdemann, L. Piculell, D. Muller: J. Chem. Phys. , 93, 4796-803 (1990), "Proton-spin-lattice relaxation rate in supercooled H₂O and H₂¹⁷O under high pressure. "
[37] E. W. Lang, H. - D. Lüdemann: Ber. Bunsenges. Phys. Chem. , 89, 508-16 (1985), "p, T, c-Dependence of ²H spin-lattice relaxation rates in supercooled LiCI-D₂O solutions. "
[38] I. Morishima, S. Ogawa, H. Yamada: J. Am. Chem. Soc. , 101, 7074-6 (1979), “Nuclear magnetic resonance studies of the effects of pressure on the heme environmental structure of hemoproteins. ”
[39] I. Morishima, S. Ogawa, H. Yamada: J. Biochemistry, 19, 1569-75 (1980), “High-pressure proton nuclear magnetic resonance studies of hemeproteins. Pressure-induced structural change in heme environments of myoglobin, hemoglobin, and horseradish peroxidase. ”
[41] D. C. Roe: J. Magn. Reson. , 63, 388-91 (1985), “Sapphire NMR tube for high-resolution studies at elevated pressure. ”
[42] J. Jonas: Rev. Sci. Instr. , 43, 643-9 (1972), “Nuclear magnetic resonance measurements at high pressure. ”
[43] J. Jonas, D. L. Hasha, W. J. Lamb, G. A. Hoffman, T. Eguchi: J. Man. Reson. , 42, 169-72 (1981), “High-resolution probe for NMR measurements at high pressure and high fields. ”
[44] D. L. Pisaniello, L. Helm, P. Meier, A. E. Mer-bach: J. Am. Chem. Soc. , 105, 4528-36 (1983), “Variable pressure and temperatrure nuclear magnetic resonance and visible spectrophotometric studies of lanthanide ions in dimethylformamide: Solvation and solvent exchange dynamics. ”
[45] (a) M. Nakahara, M. Zenke, M. Ueno, K. Shimizu: J. Chem. Phys. , 83, 280-7 (1985), “Solvent isotope effect on ion mobility in water at high pressure. Conductance and transference number of potassium chloride in compressed heavy water. ” (b) M. Ueno, A. Yoneda, N. Tsuchihashi, K. Shimizu: J. Chem. Phys. , 86, 678-83 (1987), “Solvent isotope effect on mobilities of potassium and chloride ions in water at high pressure. II. A low temperature study. ”
[46] L. A. Wolf: J. C. S. Faraday I, 72, 1267-73 (1976), "Tracer diffusion of tritiated (DTO) heavy water (D₂O) under pressure. "
[48] (a) Y. Lee and J. Jonas: J. Chem. Phys. , 57, 4233-40 (1972), “Density effects on the dynamic structure of liquid deuterium oxide. ” (b) Y. Lee, J. Jonas: J. Chem. Phys. , 59, 4845-54 (1973), “Pressure and concentration effects on the molecular reorientation in water-dioxane mix-tures. ” (c) J. Jonas, T. DeFries, and D. J. Wilbur: J. Chem. Phys. , 65, 582-8 (1976), “Molecular motions in compressed liquid water. ”
[49] G. A. Gaballa, G. W. Neilson: Mol. Phys. , 50, 97-111 (1983), “The effect of pressure on the structure of light and heavy water. ”
[50] M. Nakahara and J. Osugi: Rev. Phys. Chem. Jpn. , 50, 66-78 (1980), “The water structure and proton conductance at high pressure. ”
[51] M. Nakahara, C. Wakai: Chem. Lett. , 809-12 (1992), “Monomeric and cluster states of water molecules in organic solvent. ”
[52] M. Nakahara, C. Wakai: J. Chem. Phys. , in press, “Inertial and attractive potential effects on rotation of solitary water molecules in apolar and polar solvents. ”

Abstract

First, the historical development of high pressure NMR for solution studies has been reviewed; it has been started by Benedek-Purcell, developed extensively by Jonas, and expanded further by Yamada and some others in several countries with different purposes as a versatile tool for studying structure, phase transitions, dynamics, and reactions at high pressure. Second, the characteristic features of modern NMR spectroscopy are described. Third, the new high pressure NMR machine, recently constructed by the Research Grant-in - Aid for the Priority Area of Nonequilibrium Processes in Solution, has been illustrated, together with the reliability test and some experimental results on the spin - lattice relaxation time for heavy water. Fourth, it is confirmed that the rotational relaxation time is sensitive to the water structre due to anisotropic hydrogen bond interactions.

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