Inhomogeneous distribution of Na+ in alkali silicate glasses

Journal of the Ceramic Society of Japan

Volumn 119, Issue 1396, 2011, Pages 909-915

  Tokuda, Yomei ^a   Oka, Takanori ^a   Takahashi, Masahide ^a   Yoko, Toshinobu ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Inhomogeneous distribution; Mixed alkali; MQMAS NMR; Quantum chemical calculation; Sodium silicate

Indexed keywords

CALCULATIONS; GLASS; MAGIC ANGLE SPINNING; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; QUANTUM CHEMISTRY; SILICON COMPOUNDS;

AB INITIO MOLECULAR ORBITALS; CATION FIELD STRENGTHS; INHOMOGENEOUS DISTRIBUTION; MIXED ALKALI; MULTIPLE-QUANTUM MAGIC ANGLE SPINNINGS; QUANTUM CHEMICAL CALCULATIONS; SODIUM SILICATE; SPECTRAL DECONVOLUTION;

SILICATES;

EID: 82755192052     PISSN: 18820743     EISSN: 13486535     Source Type: Journal    
DOI: 10.2109/jcersj2.119.909     Document Type: Article

References (36)

1. F. Angeli, J.-M. Delaye, T. Charpentier, J.-C. Petit, D. Ghaleb and P. Faucon, J. Non-Cryst. Solids, 276, 132137 (2000).
2. P. Maass, A. Bunde and M. D. Ingram, Phys. Rev. Lett., 68, 30643067 (1992).
3. F. Ali, A. V. Chadwick, G. N. Greaves, M. C. Jermy, K. L. Ngai and M. E. Smith, Solid State NMR, 5, 133143 (1995).
4. B. Gee and H. Eckert, J. Phys. Chem., 100, 37053712 (1996).
5. A. Bunde, M. D. Ingram and P. J. Maass, J. Non-Cryst. Solids, 172-174, 12221236 (1994).
6. G. N. Greaves, C. R. A. Catlow, B. Vessel, J. Charnock, C. M. B. Henderson, R. Zhu, S. Qiao, Y. Wang, S. J. Gurman and S. Houde-Walter, Int. Phys. Conf. Ser., III, 411415 (1990).
7. S. Balasubramanian and K. J. Rao, J. Phys. Chem., 97, 88358838 (1993).
8. T. Uchino, T. Sakka, Y. Ogata and M. Iwasaki, J. Non-Cryst. Solids, 146, 2642 (1992).
9. T. Uchino and T. Yoko, J. Phys. Chem. B, 103, 18541858 (1999).
10. S. Matsumoto, T. Nanba and Y. Miura, J. Ceram. Soc. Japan, 106, 415421 (1998).
11. B. Park and A. N. Cormack, J. Non-Cryst. Solids, 255, 112121 (1999).
12. E. I. Kamitsos and W. M. Risen, Jr., J. Non-Cryst. Solids, 65, 333354 (1984).
13. H. Maekawa, T. Maekawa, K. Kawamura and T. Yokokawa, J. Non-Cryst. Solids, 127, 5364 (1991).
14. J. F. Stebbins, Solid State Ionics, 112, 137141 (1998).
15. A. Bax, N. Szeverenyi and G. Maciel, J. Magn. Reson., 52, 147152 (1983).
16. P. Florian, K. E. Vermillion, P. J. Grandinetti, I. Farnan and J. F. Stebbins, J. Am. Chem. Soc., 118, 34933497 (1996).
17. A. Samson, E. Lipmmaa and A. Pines, Mol. Phys., 65, 10131018 (1988).
18. A. Frydman and J. S. Harwood, J. Am. Chem. Soc., 117, 53675368 (1995).
19. S. K. Lee and J. F. Stebbins, Geochim. Cosmochim. Acta, 67, 16991709 (2003).
20. S. K. Lee and J. F. Stebbins, J. Phys. Chem. B, 107, 31413148 (2003).
21. Y. Tokuda, M. Takahashi and T. Yoko, Proc. 20th International Congress on Glass, Kyoto, Japan (2004).
22. A. Angelpoulou, V. Montouillout, D. Massiot and G. Kordas, J. Non-Cryst. Solids, 354, 333340 (2008).
23. T. Uchino, Y. Tokuda and T. Yoko, Phys. Rev. B, 58, 53225328 (1998).
24. M. Kaupp, M. Buhl and V. G. Martin, "Calculation of NMR and EPR Parameters", Wiley-VCH (2004).
25. H. Koller, G. Engelhardt, A. P. M. Kentgens and J. Sauer, J. Phys. Chem., 98, 15441551 (1994).
26. X. Xue and J. F. Stebbins, Phys. Chem. Miner., 20, 297307 (1993).
27. J. P. Amoureux, C. Fernandez and S. Steuernagel, J. Magn. Reson. A, 123, 116118 (1996).
28. D. Massiot, B. Touzo, D. Trumeau, J. P. Coutures, J. Virlet, P. Florian and P. J. Grandinetti, Solid State NMR, 6, 7383 (1996).
29. Gaussian 03, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT (2004).
30. G. N. Greeves, A. Fontaine, P. Lagarde, D. Raoux and S. J. Gurman, Nature, 293, 611616 (1981).
31. W. S. McDonald and D. W. J. Cruickshank, Acta Crystallogr., 22, 3743 (1967).
32. A. K. Pant and D. W. J. Cruickshank, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 24, 1319 (1968).
33. J. A. Tossell, Phys. Chem. Miner., 27, 7080 (1999).
34. E. I. Kamitsos, G. D. Chryssikos, A. P. Patis and J. A. Duffy, J. Non-Cryst. Solids, 196, 249254 (1996).
35. E. I. Kamitsos, C. P. E. Varsamis and A. Vegiri, Proc. 19th International Congress on Glass, Edinburgh, United Kingdom (2001).
36. R. W. Douglas and T. M. M. El-Shamy, J. Am. Ceram. Soc., 50, 18 (1967).