Solid-state 25Mg NMR, X-ray crystallographic, and quantum mechanical study of bis(pyridine)-(5,10,15,20-tetraphenylporphyrinato)magnesium(II)

Canadian Journal of Chemistry

Volumn 81, Issue 4, 2003, Pages 275-283

  Wu, Gang ^a   Wong, Alan ^a   Wang, Suning ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

25Mg NMR; Crystal structure; Quadrupole parameter; Quantum chemical calculation; Tetraphenylporphyrin

Indexed keywords

ANISOTROPY; ELECTRIC FIELDS; MAGNESIUM COMPOUNDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

LIGANDS;

ORGANIC COMPOUNDS;

BIS(PYRIDINE)(5,10,15,20 TETRAPHENYLPORPHYRINATO)MAGNESIUM; COORDINATION COMPOUND; MAGNESIUM DERIVATIVE; MAGNESIUM ION; NITROGEN; PORPHYRIN; PYRIDINE DERIVATIVE; TETRAPHENYLPORPHYRIN; UNCLASSIFIED DRUG;

ANISOTROPY; ARTICLE; CALCULATION; CHEMICAL SHIELDING ANISOTROPY; CRYSTAL STRUCTURE; CRYSTALLIZATION; ELECTRIC FIELD; MAGNESIUM 25 NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE; PARAMETER; QUADRUPOLE PARAMETER; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REPRODUCIBILITY; SOLID STATE; THEORY; X RAY CRYSTALLOGRAPHY;

EID: 0038499375     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v03-036     Document Type: Article

References (43)

1. K.M. Kadish, K.M. Smith, and R. Guilard (Editors). The porphyrin handbook. Academic Press, Burlington, MA. 1999.
2. L.R. Milgrom. The colours of life: An introduction to the chemistry of porphyrins and related compounds. Oxford University Press, New York. 1997.
3. J.E. Falk. Porphyrins and metalloporphyrins. Elsevier, Amsterdam. 1975.
4. F.A. Walker. Coord. Chem. Rev. 185/186, 471 (1999); and refs. therein.
5. (a) H.J. Jakobsen, P.D. Ellis, R.R. Inners, and C.F. Jensen. J. Am. Chem. Soc. 104, 7442 (1982);
6. (b) G.N. La Mar, C.M. Dellinger, and S.S. Sankar. Biochem. Biophys. Res. Commun. 128, 628 (1985);
7. (c) H.C. Lee, J.K. Gard, T.L. Brown, and E. Oldfield. J. Am. Chem. Soc. 107, 4087 (1985);
8. (d) L. Baltzer. J. Am. Chem. Soc. 109, 3479 (1987);
9. (e) M.A. Kennedy and P.D. Ellis. J. Am. Chem. Soc. 111, 3195 (1989);
10. (f) J. Chung, H.C. Lee, and E. Oldfield. J. Magn. Reson. 90, 148 (1990);
11. (g) A. Medek, V. Frydman, and L. Frydman. J. Chem. Phys. B, 101, 8959 (1997).
12. (a) M.T. McMahon, A.C. deDios, N. Godbout, R. Salzmann, D.D. Laws, H. Le, R.H. Havlin, and E. Oldfield. J. Am. Chem. Soc. 120, 4784 (1998);
13. (b) N. Godbout, L.K. Sanders, R. Salzmann, R.H. Havlin, M. Wojdelski, and E. Oldfield. J. Am. Chem. Soc. 121, 3829 (1999).
14. H. Scheer (Editor). Chlorophylls. CRC Press, Boca Raton, Florida. 1991.
15. (a) R.G. Bryant. J. Magn. Reson. 6, 159 (1972);
16. (b) S. Forsén, T. Andersson, T. Drakenberg, O. Teleman, and H.J. Vogel. In Calcium binding proteins. Edited by B. de Bernad. Elsevier, Amsterdam. 1983
17. (c) T. Shimizu and M. Hatano. Inorg. Chem. 24, 2003 (1985);
18. (d) M.-D. Tsai, T. Drakenberg, E. Thulin, and S. Forsén. Biochemistry 26, 3635 (1987);
19. (e) S.S. Reid and J.A. Cowan. Biochemistry 29, 6025 (1990);
20. (f) S.S. Reid and J.A. Cowan. J. Am. Chem. Soc. 113, 673 (1991);
21. (g) J.A. Cowan. Inorg. Chem. 30, 2740 (1991);
22. (h) J.A. Cowan. J. Am. Chem. Soc. 113, 675 (1991);
23. (i) E. Berggren, L. Nordenskiöld, and W.H. Braunlin. Biopolymers, 32, 1339 (1992);
24. (j) L. Wright and L.E. Lerner. Biopolymers, 34, 691 (1994).
25. (a) M.E. Smith. Ann. Rep. NMR Spectrosc. 43, 121 (2001) and refs. therein;
26. (b) F.H. Larsen, J. Skibsted, H.J. Jakobsen, and N.C. Nielsen. J. Am. Chem. Soc. 122, 7080 (2000).
27. S. Sham and G. Wu. Inorg. Chem. 39, 4 (2000).
28. C.V. Grant, V. Frydman, and L. Frydman. J. Am. Chem. Soc. 122, 11 743 (2000).
29. J.S. Lindsey and J.N. Woodford. Inorg. Chem. 34, 1063 (1995).
30. S.J. Baum, B.F. Burnham, and R.A. Plane. Proc. Natl. Acad. Sci. U.S.A. 52, 1439 (1964).
31. A.C. Kunwar, G.L. Turner, and E. Oldfield. J. Magn. Reson. 69, 124 (1986).
32. R. Dupree and M.E. Smith. Chem. Commun. 1483 (1988).
33. Bruker AXS. 1995. SHELXTL Crystal structure analysis package [computer program]. Version 5. Bruker AXS, Analytical X-ray System, Siemens, Madison, WI.
34. D.T. Cromer and J.T. Waber. International tables for X-ray crystallography. Kynoch Press, Birmingham, U.K. 1974.
35. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, and J.A. Pople. 1998. Gaussian98 [computer program]. Revision A.6. Gaussian, Inc., Pittsburgh, PA.
36. P. Pyykkö. Mol. Phys. 99, 1617 (2001).
37. (a) R. Ditchfield. Mol. Phys. 27, 789 (1974);
38. (b) K. Wolinski, J.F. Hilton, and P. Pulay. J. Am. Chem. Soc. 112, 8257 (1990).
39. V. McKee, C.C. Ong, and G.A. Rodley. Inorg. Chem. 23, 4242 (1984).
40. R. Bonnett, M.B. Hursthouse, K.M.A. Malik, and B. Mateen. J. Chem. Soc., Perkin Trans. 2, 2072 (1977).
41. D. Massiot, I. Farnan, N. Gautier, D. Trumeau, A. Trokiner, and J.P. Coutures. Solid State Nucl. Magn. Reson. 4, 241 (1995).
42. H. Kobayashi, Y. Maeda, and Y. Yanagawa. Bull. Chem. Soc. Jpn. 43, 2342 (1970).
43. N. Li, V. Petricek, P. Coppens, and J. Landrum. Acta Crystallogr. Sect. C, 41, 902 (1985).