73Ge solid-state NMR of germanium oxide materials: Experimental and theoretical studies

Journal of Physical Chemistry C

Volumn 114, Issue 49, 2010, Pages 21736-21744

  Michaelis, Vladimir K ^a   Kroeker, Scott ^a  

^a UNIVERSITY OF MANITOBA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION NUMBER; CRYSTALLINE SYSTEMS; EXCHANGE-CORRELATION FUNCTIONALS; GERMANATE GLASS; GERMANATES; GYROMAGNETIC RATIO; ISOTROPIC CHEMICAL SHIFTS; LOWER FREQUENCIES; NATURAL ABUNDANCE; NMR SPECTRUM; QUADRUPOLE COUPLING CONSTANTS; QUADRUPOLE MOMENTS; QUANTUM CHEMICAL CALCULATIONS; SOLID STATE NMR; STRUCTURAL ELEMENTS; STRUCTURAL INFORMATION; THEORETICAL STUDY;

ALKALINITY; CRYSTALLINE MATERIALS; GERMANIUM OXIDES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY;

GERMANIUM;

EID: 78650293596     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1071082     Document Type: Article

References (63)

1. Armatas, G. S.; Kanatzidis, M. G. Science 2006, 313, 817-820
2. Henderson, E. J.; Veinot, J. G. C. Chem. Mater. 2007, 19, 1886-1888
3. Zou, X.; Conradsson, T.; Klingstedt, M.; Dadachov, M. S.; O'Keeffe, M. Nature 2005, 437, 716-719
4. Zyubin, A. S.; Mebel, A. M.; Lin, S. H. J. Phys. Chem. A 2007, 111, 9479-9485
5. Henderson, G. S. J. Non-Cryst. Solids 2007, 353, 1695-1704
6. Takeuchi, Y.; Nishikawa, M.; Yamamoto, H. Magn. Reson. Chem. 2004, 42, 907-909
7. Takeuchi, Y.; Nishikawa, M.; Hachiya, H.; Yamamoto, H. Magn. Reson. Chem. 2005, 43, 662-664
8. Takeuchi, Y.; Takayama, T. Annu. Rep. NMR Spectrosc. 2005, 5, 155-200
9. Michaelis, V. K.; Aguiar, P. M.; Terskikh, V. V.; Kroeker, S. Chem. Commun. 2009, 31, 4660-4662
10. Stebbins, J. F.; Du, L. S.; Kroeker, S.; Neuhoff, P.; Rice, D.; Frye, J.; Jakobsen, H. J. Solid State Nucl. Magn. Reson. 2002, 21, 105-115
11. Sutrisno, A.; Hanson, M. A.; Rupar, P. A.; Terskikh, V. V.; Baines, K. M.; Huang, Y. Chem. Commun. 2010, 46, 2817
12. Sen, S.; Gan, Z. J. Non-Cryst. Solids 2010, 356, 1519
13. Kibalchenko, M.; Yates, J. R.; Massobrio, C.; Pasquarello, A. Phys. Rev. B 2010, 82 020202
14. Kibalchenko, M.; Yates, J. R.; Pasquarello, A. J. Phys.: Condensed Matter 2010, 22, 145501
15. Mackenzie, K. J. D.; Smith, M. E. Multinuclear Solid-State NMR of Inorganic Materials; Pergamon: London, 2002; Vol. 6.
16. Slichter, C. P. Principles of Magnetic Resonance; Harper & Row: New York, 1963.
17. Taulelle, F. NMR of Quadrupolar Nuclei in the Solid State; Kluwer Academic Publishers: London, 1988; Vol. 322.
18. Durif, A.; Averbuch-Pouchot, M. T. Comptes Rendus Hebdomadaires des Séances de l'Academie des Sciences, Series C 1982, 295, 555-556
19. Ennaciri, A.; Michel, D.; Perez Y Jorba, M.; Pannetier, J. Mater. Res. Bull. 1984, 19, 793-799
20. Fáy, E.; Völlenkle, H.; Wittmann, A. Kurze Originalmitteilungen 1971, 58, 455
21. Fleet, M. E. Acta Crystallogr. C 1990, 46, 1202-1204
22. Grabmaier, B. C.; Haussühl, S.; Klüfers, U. P. Z. Kristallogr. 1979, 149, 261-267
23. Kahn, A.; Agafonov, V.; Michel, D.; Perez Y Jorba, M. J. Solid State Chem. 1986, 65, 377-382
24. Voellenkle, H. Z. Kristallogr. 1981, 154, 77-81
25. Vollenkle, H.; Wittmann, A. Z. Kristallogr. 1969, 128, 66-71
26. Von Dreele, R. B.; Navrotsky, A. Acta Crystallogr. B 1977, 33, 2287-2288
27. Xu, Y.; Cheng, L.; Zhou, G.; Wang, Y. Acta Crystallogr. E 2006, 62, 135-137
28. Cruickshank, D. W. J.; Kalman, A.; Stephens, J. S. Acta Crystallogr. B 1978, 34, 1333-1334
29. Will, G.; Bellotto, M.; Parrish, W.; Hart, M. J. Appl. Crystallogr. 1988, 12, 182
30. Cheng, L. T.; Ellis, P. D. J. Phys. Chem. 1989, 93, 2549
31. Larsen, F. H.; Jakobsen, H. J.; Ellis, P. D.; Nielsen, N. C. J. Phys. Chem. A 1997, 101, 8597
32. Bhattacharyya, R.; Frydman, L. J. Phys. Chem. 2007, 127, 194503
33. O'Dell, L. A.; Schurko, R. W. J. Am. Chem. Soc. 2009, 131, 6658-6659
34. O'Dell, L. A.; Rossini, A. J.; Schurko, R. W. Chem. Phys. Lett. 2009, 468, 330-335
35. Eichele, K. WSOLIDS NMR Simulation Package, 1.18.8 ed., 2007.
36. Profeta, M. M.; Mauri, F.; Pickard, C. J. J. Am. Chem. Soc. 2003, 125, 541
37. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77
38. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1998, 80
39. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892
40. Yates, J. R.; Pickard, C. J.; Payne, M. C.; Mauri, F. J. Chem. Phys. 2003, 118, 5746
41. Adiga, S.; Aebi, D.; Bryce, D. L. Can. J. Chem. 2007, 85, 496
42. Harris, R.; Becker, E. J. Magn. Reson. 2002, 156, 323
43. Blaha, P.; Schwarz, K.; Madsen, G. K. H.; Kvasnicka, D.; Luitz, J. In WIEN2K, An Augmented Plane Wave and Local Orbitals Program for Calculating Crystal Properties; Schwarz, K., Ed.; Vienna University of Technology: Vienna, Austria, 2001.
44. Hohenberg, P.; Kohn, W. Phys. Rev. B 1964, 136, 864
45. Redhammer, G. J.; Roth, G.; Amthauer, G.; Lottermoser, W. Acta Crystallogr. B 2008, 64, 261-271
46. Halwax, E.; Voellenkle, H. Monatsh. Chem. 1985, 116, 1367
47. Hoch, C.; Roehr, C. Z. Naturforsch. 2001, 56, 1256
48. Agafonov, V.; Kahn, A.; Michel, D.; Perez Y Jorba, M. J. Solid State Chem. 1986, 62, 402
49. Nishi, F. Acta Crystallogr. C 1997, 53, 399-401
50. Mignon, C.; Millot, Y.; Man, P. P. Comptes Rendus Chim. 2004, 7, 425-430
51. Kroeker, S.; Stebbins, J. F. Inorg. Chem. 2001, 40, 6239
52. Xu, Z.; Stebbins, J. F. Solid State Nucl. Magn. Reson. 1995, 5, 103
53. Engelhardt, G.; Michel, D. High-Resolution Solid-State NMR of Silicates and Zeolites; John Wiley & Sons: New York, 1987.
54. George, A. M.; Sen, S.; Stebbins, J. F. Solid State Nucl. Magn. Reson. 1997, 10, 9
55. Fiske, P. S.; Stebbins, J. F. Am. Mineral. 1994, 79, 848
56. Kroeker, S.; Stebbins, J. F. Am. Mineral. 2000, 85, 1459
57. Cherry, B. R.; Nyman, M.; Alam, T. M. J. Solid State Chem. 2004, 177, 2079
58. Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. J. Non-Cryst. Solids 2007, 353, 2582
59. Robinson, K.; Gibbs, G. V.; Ribbe, P. H. Science 1970, 172, 567-570
60. Fleet, M. E. Mineral. Mag. 1976, 40, 531-533
61. Henderson, G. S.; Fleet, M. E. J. Non-Cryst. Solids 1991, 134, 259-269
62. Shelby, J. E. Introduction to Glass Science and Technology, 2 ed.; Royal Society of Chemistry: Cambridge, 2005.
63. Lide, D. R. CRC Handbook of Chemistry and Physics, 82 ed.; CRC Press: Boca Raton, FL, 2001.