A Definitive Example of Aluminum-27 Chemical Shielding Anisotropy

Journal of Magnetic Resonance

Volumn 133, Issue 2, 1998, Pages 388-394

  Schurko, Robert W ^a   Wasylishen, Roderick E ^a   Phillips, Andrew D ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

Ab initio chemical shielding tensors; Aluminum 27 NMR; Chemical shift anisotropy; Nuclear quadrupole coupling constants; Solid state NMR

Indexed keywords

EID: 0000038522     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.1998.1460     Document Type: Editorial

References (46)

1. T. J. Bastow, Z Naturforsch. 49A, 320-328 (1993).
2. J. W. Akitt, Progr. Nucl. Magn. Reson. Spectrosc. 21, 1-149 (1989).
3. M. E. Smith, Appl. Magn. Reson. 4, 1-64 (1993).
4. J. Klinowski, Anal. Chim. Acta 283, 929-965 (1993).
5. L. B. Alemany, Appl. Magn. Reson. 4, 179-201 (1993).
6. P. Pyykkö, Z Naturforsch. 47A, 189-196 (1992).
7. J. J. Delpuech, in "NMR of Newly Accessible Nuclei - Volume 2: Chemically and Biochemically Important Elements" (P. Laszlo, Ed.), pp. 153-195, Academic Press, New York (1983).
8. (a) A. Samoson, P. Sarv, J. P. v. Braam-Houckgeest, and B. Kraushaar-Czarnetzki, Appl. Magn. Reson. 4, 171-178 (1993).
9. (b) T. Vosegaard and H. J. Jakobsen, J. Magn. Reson. 128, 135-137 (1997).
10. (a) T. M. Duncan, in "Principal Components of Chemical Shift Tensors: A Compilation," 2nd ed., Farragut Press, Chicago, 1994.
11. (b) T. M. Duncan, J. Phys. Chem. Ref. Data 16, 125-151 (1987).
12. For a review on the Knight shift and references to original articles, see W. D. Knight and S. Kobayashi, in "Encyclopedia of NMR" (D. M. Grant and R. K. Harris, Eds.), pp. 2673-2679, Wiley, Chichester, England (1996).
13. M. E. Smith, M. A. Gibson, C. T. Forwood, and T. J. Bastow, Philosoph. Mag. A 74, 791-809 (1996).
14. T. J. Bastow, M. E. Smith, and G. W. West, J. Phys. Condens. Matter 9, 6085-6095 (1997).
15. See, for instance, (a) N. Burford, Coord. Chem. Rev. 112, 1-18 (1992). (b) N. Burford, B. W. Royan, R. E. v. H. Spence, T. S. Cameron, A. Linden, and R. Rogers, J. Chem. Soc. Dalton Trans., 1521-1528 (1990).
16. See, for instance, (a) N. Burford, Coord. Chem. Rev. 112, 1-18 (1992). (b) N. Burford, B. W. Royan, R. E. v. H. Spence, T. S. Cameron, A. Linden, and R. Rogers, J. Chem. Soc. Dalton Trans., 1521-1528 (1990).
17. F. Birkneder, R. W. Berg, and N. J. Bjerrum, Acta Chem. Scand. 47, 344-357 (1993).
18. J. Mason, Solid State Nucl. Magn. Reson. 2, 285-288 (1993).
19. K. Narita, J. Umeda, and H. Kusumoto, J. Chem. Phys. 44, 2719-2723 (1966).
20. J. F. Baugher, P. C. Taylor, T. Oja, and P. J. Bray, J. Chem. Phys. 50, 4914-4925 (1969).
21. (a) W. P. Power, R. E. Wasylishen, S. Mooibroek, B. A. Pettitt, and W. Danchura, J. Phys. Chem. 94, 591-598 (1990).
22. (b) J. T. Cheng, J. C. Edwards, and P. D. Ellis, J. Phys. Chem. 94, 553-557 (1990).
23. N. Burford, A. Phillips, R. W. Schurko, R. E. Wasylishen, and J. F. Richardson, J. Chem. Soc. Chem. Commun. 2363-2364 (1998).
24. 27 Al) is reported as 99 ppm from solid-state experiments. O. H. Han and E. Oldfield, Inorg. Chem. 29, 3666-3669 (1990).
25. 27 Al) of 111.5(2) and 54.3(2) ppm. P. J. Chu, A. de Mallmann, and J. H. Lunsford, J. Phys. Chem. 95, 7362-7368 (1991).
26. J. H. Van Vleck, Phys. Rev. 74, 1168-1183 (1948).
27. D. E. Woessnerand H. K. C. Timken, J. Magn. Reson. 90, 411-419 (1990).
28. See, for instance, A. C. de Dios, J. Progr. Nucl. Magn. Reson. Spectrosc. 29, 229-278 (1996).
29. For example, see G. Rauhut, S. Puyear, K. Wolinski, and P. Pulay, J. Phys. Chem. 100, 6310-6316 (1996).
30. Several articles on this subject can be found in "Nuclear Magnetic Shieldings and Molecular Structure - NATO ASI Series C Vol. 386" (J. A. Tossell, Ed.), Kluwer, Dordrecht (1993).
31. (a) M. Kaupp, O. L. Malkina, and V. G. Malkin, J. Chem. Phys. 106, 9201-9212 (1997).
32. (b) J. R. Cheeseman, G. W. Trucks, T. A. Keith, and M. J. Frisch, J. Chem. Phys. 104, 5497-5509 (1996).
33. (a) D. B. Chesnut and E. F. C. Byrd, Heteroatom Chem. 7, 307-312 (1996).
34. (b) M. Kaupp, Chem. Ber. 129, 535-544 (1996).
35. D. Sykes, J. D. Kubicki, and T. C. Farrar, J. Phys. Chem. A 101, 2715-2722 (1997).
36. U. Schneider and R. Ahlrichs, Chem. Phys. Lett. 226, 491-494 (1994).
37. J. Gauss, U. Schneider, R. Ahlrichs, C. Dohmeier, and H. Schnöckel, J. Am. Chem. Soc. 115, 2402-2408 (1993).
38. M. Kanzaki, J. Ceram. Soc. Jpn. 105, 91-92 (1997).
39. A. D. Becke, J. Chem. Phys. 98, 5648-5652 (1993).
40. M. J. Frisch, A. Frisch, and J. B. Foresman, in "Gaussian 94 User's Reference," pp. 109-110, Gaussian Inc., Pittsburgh (1996).
41. (a) R. D. Brown and M. P. Head-Gordon, Mol. Phys. 61, 1183-1191 (1987).
42. (b) P. L. Cummins, G. B. Bacskay, and N. S. Hush, Mol. Phys. 62, 193-213 (1987).
43. D. W. Alderman, M. S. Solum, and D. M. Grant, J. Chem. Phys. 84, 3717-3725 (1986).
44. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrewski, J. V. Ortiz, J. B. Roresman, J. Cioslowski, B. B. Stefanow, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. DeFrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, "GAUSSIAN 94" (Revision B.2) (Gaussian, Inc., Pittsburgh, PA, 1995).
45. R. Ditchfield, Mol. Phys. 27, 789-807 (1974).
46. H. Nöth, Z. Naturforsch. 35B, 119-124 (1980).