Solid-state 25Mg NMR spectroscopic and computational studies of organic compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a

Journal of Physical Chemistry A

Volumn 110, Issue 33, 2006, Pages 10084-10090

  Wong, Alan ^a,c   Ida, Ramsey ^a   Mo, Xin ^a   Gan, Zhehong ^b   Poh, Jennifer ^a   Wu, Gang ^a  

^a QUEEN S UNIVERSITY   (Canada)

^b FLORIDA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIELDING; PHTHALOCYANINE; SQUARE-PYRAMIDAL GEOMETRY;

CHLOROPHYLL; ELECTRIC FIELD EFFECTS; IONS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ORGANIC COMPOUNDS;

EID: 33748554492     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061350w     Document Type: Article

References (41)

1. Wu, G. Biochem. Cell Biol. 1998, 76, 429.
2. Smith, M. E. Annu. Rep. NMR Spectrosc. 2001, 43, 121.
3. Wu, G. Chem. Phys. Lett. 1998, 298, 375.
4. Sham, S.; Wu, G. Can. J. Chem. 1999, 77, 1782.
5. Larsen, F. H.; Lipton, A. S.; Jakobsen, H. J.; Nielsen, N. C.: Ellis, P. D. J. Am. Chem. Soc. 1999, 121, 3783.
6. Sham, S.; Wu, G. Inorg. Chem. 2000, 39, 4.
7. Grant, C. V.; Frydman, V.; Frydman, L. J. Am. Chem. Soc. 2000, 122, 11743.
8. Larsen, F. H.; Skibsted, J.; Jakobsen, H. J.; Nielsen, N. C. J. Am. Chem. Soc. 2000, 122, 7080.
9. Lipton, A. S.; Buchko, G. W.; Sears, J. A.; Kennedy, M. A.; Ellis, P. D. J. Am. Chem. Soc. 2001, 123, 992.
10. Lipton, A. S.; Smith, M. D.; Adams, R. D.; Ellis, P. D. J. Am. Chem. Soc. 2002, 124, 410.
11. Lipton, A. S.; Bergquist, C.; Parkin, G.; Ellis, P. D. J. Am. Chem. Soc. 2003, 125, 3768.
12. Hung, I.; Schurko, R. W. Solid State Nucl. Magn. Reson. 2003, 24, 78.
13. Wu, G.; Wong, A.; Wang, S. N. Can. J. Chem. 2003, 81, 275.
14. Wu, G.; Wong, A.; Gan, Z. H.; Davis, J. T. J. Am. Chem. Soc. 2003, 125, 7182.
15. Wong, A.; Whitehead, R. D.; Gan, Z. H.; Wu, G. J. Phys. Chem. A 2004, 108, 10551.
16. Lipton, A. S.; Heck, R. W.; Ellis, P. D. J. Am. Chem. Soc 2004, 126, 4735.
17. Ida, R.; Wu, G. J. Phys. Chem. A 2002, 106, 11234.
18. Zhang, Y.; Mukherjee, S.; Oldfield, E. J. Am. Chem. Soc. 2005, 127, 2370.
19. The Biological Chemistry of Magnesium; Cowan, J. A., Ed.; Wiley: New York, 1995.
20. Draper, D. E.; Grilley, D.; Maria Soto, A. Annu. Rev. Biophys. Biomol. Struct. 2005, 34, 221.
21. Misra, V. K.; Draper, D. E. Biopolymers 1998, 48, 113.
22. Strain, H. H.; Thomas, M. R.; Katz, J. J. Biochim. Biophys. Acta 1963, 75, 306.
23. SHELXTL Crystal Structure Analysis Package, version 5; Bruker Analytical X-ray System, Siemens: Madison, WI, 1995.
24. Cromer, D. T.; Waber, J. T. International Tables for X-ray Crystallography; Kynoch Press: Birmingham, U.K., 1974.
25. Kunwar, A. C.; Turner, G. L.; Oldfield, E. J. Magn. Reson. 1986, 69, 124.
26. Larsen, F. H.; Jakobsen, H. J.; Ellis, P. D.; Nielsen, N. C. J. Phys. Chem. A 1997, 101, 8597.
27. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford CT, 2004.
28. Pyykko, P. Mol. Phys. 2001, 99, 1617.
29. Fisher, M. S.; Templeton, D. H.; Zalkin, A.; Calvin, M. J. Am. Chem. Soc. 1971, 93, 2622.
30. Janczak, J.; Kubiak, R. Polyhedron 2001, 20, 2901.
31. Janczak, J.; Idemori, Y. M. Acta Crystallogr. 2002, C58, m549.
32. Janczak, J.; Idemori, Y. M. Polyhedron 2003, 22, 1167.
33. Kratky, C.; Dunitz, J. D. J. Mol. Biol. 1977, 113, 431.
34. Stauss, G. H. J. Chem. Phys. 1964, 40, 1988.
35. Lumpkin, O. J. Chem. Phys. 1975, 62, 3281.
36. Wang, N. X.; Wilson, A. K. J. Chem. Phys. 2004, 121, 7632.
37. Schwerdtfeger, P.; Pernpointner, M.; Laerdahl, J. K. J. Chem. Phys. 1999, 111, 3357.
38. Bast, R.; Schwerdtfeger, P. J. Chem. Phys. 2003, 119, 5988.
39. van Lenthe, E.; Baerends, E. J. J. Chem. Phys. 2000, 112, 8279.
40. Kwak, H. T.; Prasad, S.; Clark, T.; Grandinetti, P. J. Solid State Nucl. Magn. Reson. 2003, 24, 71.
41. Siegel, R.; Nakashima, T. T.; Wasylishen, R. E. Chem. Phys. Lett. 2006, 421, 529.