A high-resolution solid-state 23Na NMR study of sodium complexes with solvents, small ligand molecules, and ionophores. 23Na chemical shifts as means for identification and characterization of ion-ion, ion-solvent, and ion-ligand interactions

Bulletin of the Chemical Society of Japan

Volumn 59, Issue 6, 1986, Pages 1957-1966

  Tabeta, Ryoko ^a   Aida, Misako ^a   Saito, Hazime ^a  

^a NATIONAL CANCER CENTER RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; COMPLEXATION; IONOPHORES; IONS; LIGANDS; MAGIC ANGLE SPINNING; MOLECULAR ORBITALS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORBITAL CALCULATIONS; SOLVENTS; WATER;

AB INITIO MOLECULAR ORBITAL METHODS; CHARACTERISTIC PEAKS; ELECTRON TRANSFER; INTER-ATOMIC DISTANCES; ION-LIGAND INTERACTION; LIGAND MOLECULES; QUADRUPOLE COUPLING CONSTANTS; QUADRUPOLE INTERACTIONS;

SODIUM COMPOUNDS;

EID: 0001611351     PISSN: 00092673     EISSN: 13480634     Source Type: Journal    
DOI: 10.1246/bcsj.59.1957     Document Type: Article

References (79)

1. For review: a) B. C. Pressman, Ann. Rev. Biochem., 45, 501 (1976);
2. b) C. J. Pedersen and H. K. Frensdorff, Angew. Chem. Int. Ed. Engl, 11, 16 (1972);
3. c) N. S. Pooniaand A. V. Bajaj, Chem. Rev., 79, 389 (1979);
4. d) F. de Jong and D. N. Reinhoudt, Adv. Phys. Org. Chem., 17, 1 (1981);
5. e) J. Lehn, Struc. Bonding (Berlin), 16, 1 (1973);
6. f) B. Dietrich, in "Inclusion Compounds," ed by J. C. Atwood, J. E. D. Davies, and D. D. MacNicol, Academic Press, London (1984), Vol. 2, Chap. 10.
7. For review: a) P. Laszlo, Angew. Chem. Int. Ed. Engl., 17, 254 (1978);
8. b) M. M. Civan and M. Shporer, "Biological Magnetic Resonance," ed by L. J. Berliner and J. Reuben, Plenum Press, New York and London (1978), Vol. 1, Chap. 1;
9. c) B. Lindman and S. Forsen, "NMR and the Periodic Table," ed by R. K. Harris and B. E. Mann, Academic Press, London (1978), Chap. 6.
10. D. H. Haynes, B. C. Pressman, and A. Kowalsky, Biochemistry, 10, 852 (1971).
11. M. Schporer, H. Zemel, and Z. Luz, FEBS Lett., 40, 357 (1974).
12. E. Shchori, J. Jagur-Grodzinski, Z. Luz, and M. Shporer, J. Am. Chem. Soc, 93, 7133 (1971).
13. E. Shchori, J. Jagur-Grodzinski, and M. Shporer, J. Am. Chem. Soc, 95, 3842 (1973).
14. M. Shamsipur and A. I. Popov, J. Am. Chem. Soc, 101, 4051 (1979).
15. B. O. Strasser, K. Hellenga, and A. I. Popov, J. Am. Chem. Soc, 107, 789 (1985).
16. B. Eliasson, K. M. Larson, and J. Kowalewski, J. Phys. Chem., 89, 258 (1985).
17. J. M. Ceraso and J. L. Dye, J. Am. Chem. Soc, 95, 4432 (1973).
18. J. P. Kintzinger and J. M. Lehn, J. Am. Chem. Soc, 96, 3313 (1974).
19. J. M. Ceraso, P. B. Smith, J. S. Landers, and J. L. Dye, J. Phys. Chem., 81, 760 (1977).
20. J. C. Lin and A. I. Popov, J. Am. Chem. Soc, 103, 3773 (1981).
21. R. C. Phillips, S. Khazaeli, and J. L. Dye, J. Phys. Chem., 89, 606 (1985).
22. J. M. Ceraso and J. L. Dye, J. Chem. Phys., 61, 1585 (1974).
23. J. L. Dye, C. W. Andrews, and J. M. Ceraso, J. Phys. Chem., 79, 3076 (1975).
24. E. G. Bloor and R. G. Kidd, Can. J. Chem., 46, 3425 (1968).
25. a) D. Muller and W. Gessner, Chem. Phys. Lett., 79, 59 (1981);
26. b) E. Oldfield, R. A. Kinsey, B. Montez, T. Ray, and K. A. Smith, J. Chem. Soc, Chem. Commun., 1982, 254;
27. c) D. J. Burton and R. K. Harris, J. Chem. Soc, Chem. Commun., 1982, 256;
28. d) M. D. Meadows, K. A. Smith, R. A. Kinsey, T. M. Rothgeb, R. P. Skarjune, and E. Oldfield, Proc Natl. Acad. Sci. U.S.A, 79, 1351 (1982).
29. a) E. Oldfield, S. Schramm, M. D. Meadows, K. A. Smith, R. A. Kinsey, and J. Ackerman, J. Am. Chem. Soc, 104, 919 (1982);
30. b) S. Ganapathy, S. Schramm, and E. Oldfield, J. Chem. Phys., 77, 4360 (1982).
31. R. Tabeta and H. Saito, Chem. Lett., 1984, 293.
32. a) E. Kundla, A. Samoson, and E. Lippmaa, Chem. Phys. Lett., 83, 229 (1981);
33. b) A. Samoson, E. Kundla, and E. Lippmaa, J. Magn. Reson., 49, 350 (1982).
34. a) J. C. Barnes and C. S. Duncan, J. Chem. Soc, Dalton Trans., 1972, 1732;
35. b) J. C. Barnes and T. J. R. Weakely, Acta Crystallogr., Sect. B, 34, 1984 (1978).
36. P. Piret and C. Mesureur, J. Chim. Phys., 62, 287 (1965).
37. P. Piret, Y. Gobillon, and M. van Meerssche, Bull. Soc. Chim. Fr., 1963, 205.
38. Y. Gobillon, P. Piret, and M. van Meerssche, Bull. Soc. Chim. Fr., 1962, 551.
39. D. Bright, G. H. W. Milburn, and M. R. Truter, J. Chem. Soc. (A), 1971, 1582.
40. J. Verbist, J.-P. Putzeys, P. Piret, and M. Meerssche, Acta Crystallogr., Sect. B, 27, 1190 (1971).
41. J. C. Voegele, J. Fischer, and R. Weiss, Acta Crystallogr., Sect. B, 30, 62 (1974).
42. J. C. Speakman and H. H. Mills, J. Chem. Soc, 1961, 1164.
43. R. Tabeta and H. Saito, Biochemistry, 24, 7696 (1985).
44. H. Saito, R. Tabeta, A. Shoji, T. Ozaki, I. Ando, andT. Asakura, "Magnetic Resonance in Biology and Medicine," ed by G. Govil, C. L. Kheterapal, and A. Saran, Tata McGraw-Hill, New Delhi (1985), p. 195.
45. R. Tabeta and H. Saito, Bull. Chem. Soc Jpn., 58, 3215 (1985).
46. M. H. Cohen and F. Reif, "Solid State Physics," ed by F. Seitzand D. Turnbull, Academic Press, New York (1957) Vol. 5;
47. A. Abragam, "The Principle of Nuclear Magnetism," Clarendon Press, Oxford (1961), Chap. VII;
48. P. C. Taylor, J. F. Baucher, and H. M. Kriz, Chem. Rev., 75, 203 (1975).
49. K. Morokuma, S. Kato, K. Kitaura, I. Ohmine, S. Sakai, and S. Obara, Institute for Molecular Science Computer Center Library Program, 1980, No. 0372.
50. W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys., 56, 2257 (1972).
51. For ligand molecules, the geometries were optimized with 6-31 G basis set by energy gradient techniques (P. Pulay, "Applications of Electronic Structure Theory," ed by H. F. Schaefer III, Plenum Press, New York (1977), pp. 153-185).
52. W. Gauss, S. Gunther, A. R. Haase, M. Kerber, J. Kronenbitter, H. Kruger, O. Lutz, A. Nolle, P. Schrade, M. Schule, and G. E. Siegloch, Z. Naturforsch., 33a, 934 (1978).
53. A. H. Silver and P. J. Bray, J. Chem. Phys., 32, 288 (1960).
54. H. A. Levy and G. C. Lisensky, Acta Crystallogr., Sect. B, 34, 3502 (1978).
55. G. Ferraris and G. Chiari, Acta Crystallogr., Sect. B, 26, 1574(1970).
56. B. S. Reddy and M. A. Viswamitra, Acta Crystallogr., Sect. B, 31, 19 (1975).
57. K.-T. Wei and D. L. Ward, Acta Crystallogr., Sect. B, 33, 522 (1977).
58. J. J. Daly, J. Chem. Soc. (A), 1967, 1708.
59. J. Hvoslef, Acta Crystallogr., Sect. B, 25, 2214 (1969).
60. J. A. Kanters, G. Roelofsen, and B. P. Alblas, Acta Crystallogr., Sect. B, 33, 1906 (1977).
61. K. Neupert-Laves, and M. Dobler, Helv. Chim. Acta, 58, 432 (1975).
62. M. Dobler and R. P. Phizackerley, Helv. Chim. Acta, 57, 664(1974).
63. T. Sakamaki, Y. Iitaka, and Y. Nawata, Acta Crystallogr., Sect. B, 32, 768 (1976).
64. C. C. Chang and I. C. Paul, Science, 196, 1441 (1977).
65. M. Pinkerton and L. K. Steinrauf, J. Mol. Biol, 49, 533 (1970);
66. W. K. Lutz, F. K. Winkler, and J. Dunitz, Helv. Chim. Acta, 54, 4412 (1971).
67. F. Mathieu, B. Metz, D. Moras, and R. Weiss, J. Am. Chem. Soc, 100, 4412 (1978).
68. P. D. Moras and R. Weiss, Acta Crystallogr., Sect. B, 29, 396 (1973).
69. M. Dobler, J. D. Dunitz, and A. P. Seiler, Acta Crystallogr., Sect. B, 30, 2741 (1974).
70. Chemical structure of tetranactin is similar to that of nonactin, except for the presence of four ethyl groups in place of four methyl groups which are drawn inside the macrocyclic ring in Fig. 4 (see K, Ando, Y. Murakami, and Y. Nawata, J. Antibiot., 24, 418 (1971)).
71. K. Morokuma, J. Chem. Phys., 55, 1236 (1971);
72. K. Kitaura and K. Morokuma, Int. J. Quantum Chem., 10, 325 (1976).
73. G. Malli and S. Fraga, Theoret. Chim. Acta (Berl), 5, 275 (1966).
74. R. H. Erlich, E. Roach, and A. I. Popov, J. Am. Chem. Soc, 92, 4989 (1970).
75. J. Kondo and J. Yamashita, J. Phys. Chem. Solid, 10, 245 (1959).
76. D. Ikenberry and T. P. Das, J. Chem. Phys., 43, 2199 (1965).
77. W. G. Schneider and A. D. Buckingham, Discussions Faraday Soc, 34, 147 (1962).
78. I. Ando and G. A. Webb, "Theory of NMR Parameters," Academic Press, London (1983);
79. H. Nakatsuji, K. Kanda, K. Endo, and T. Yonezawa, J. Am. Chem. Soc, 106, 4653 (1984).