An edge-over-edge Zn(II) bacteriochlorin dimer having an unshifted Q(y) band. The importance of π-overlap

Journal of the American Chemical Society

Volumn 118, Issue 46, 1996, Pages 11676-11677

  Vasudevan, Jayasree ^a   Stibrany, Robert T ^a   Bumby, Jean ^a   Knapp, Spencer ^a   Potenza, Joseph A ^a   Emge, Thomas J ^a   Schugar, Harvey J ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIOCHLORIN; ZINC COMPLEX;

ARTICLE; COMPLEX FORMATION; NUCLEAR MAGNETIC RESONANCE; PROTEIN STRUCTURE; SPECTROPHOTOMETRY; STEREOCHEMISTRY;

EID: 0029968952     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9624376     Document Type: Article

References (25)

1. (a) Parsons, W. W.; Warshel, A. J. Am. Chem. Soc. 1987, 109, 6152-63.
2. (b) Källebring, B.; Larsson, S. Chem. Phys. Lett. 1987, 138, 76-82.
3. (c) Scherer, P. O. J.; Fischer, S. F. Chem. Phys. 1989, 131, 115-27.
4. (d) Thompson, M. A.; Zerner, M. C.; Fajer, J. J. Phys. Chem. 1991, 95, 5693-700.
5. (e) Rosenbach-Belkin, V.; Fisher, J. R. E.; Scherz, A. J. Am. Chem. Soc. 1991, 113, 676-8.
6. (f) Lathrop, E. J. P.; Freisner, R. A. J. Phys. Chem. 1994, 98, 3056-66.
7. (g) Thompson, M. A.; Schenter, G. K. J. Phys. Chem. 1995, 99, 6374-86.
8. (h) Koepke, J.; Hu, X.; Muenke, C.; Schulten, K.; Michel, H. Structure 1996, 4, 581-97.
9. (a) Deisenhofer, J.; Michel, H. Science 1989, 245, 1463-73.
10. (b) Allen, J. P.; Feher, G.; Yeates, T. O.; Komiya, H.; Rees, D. C. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 8487-91.
11. Boxer, S. G. Photosynth. Res. 1992, 33, 113-9.
12. McDermott, G.; Prince, S. M.; Freer, A. A.; Hawthornthwaite-Lawless, A. M.; Papiz, M. Z.; Cogdell, R. J.; Isaacs, N. W. Nature 1995, 374, 517-21.
13. Kühlbrandt, W. Structure 1995, 3, 521-5.
14. Stibrany, R. T.; Vasudevan, J.; Knapp, S.; Potenza, J. A.; Emge, T.; Schugar, H. J. J. Am. Chem. Soc. 1996, 118, 3980-1.
15. Gonsalves, A. M. d'A. R.; Varejao, J. M. T. B.; Pereira, M. M. J. Heterocycl. Chem. 1991, 28, 635-40.
16. Whitlock, H. W.; Hanauer, R.; Oester, M. Y.; Bower, B. K. J. Am. Chem. Soc. 1969, 91, 7485-9.
17. F = 0.060 for 2471 reflections having I > 2σ(I).
18. Barkegia, K. M.; Miura, M.; Thompson, M. A.; Fajer, J. Inorg. Chem. 1991, 30, 2233-6.
19. Kessler, H.; Griesinger, C.; Kerssebaum, R.; Wagner, K.; Ernst, R. J. Am. Chem. Soc. 1987, 109, 607-9.
20. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902-9. As a calculational simplification, the "remote" difluorophenyl group attached to C-15 in each BC subunit was replaced by an H atom.
21. Sheldrick, G. M. SHELXL-93; Göttingen, 1993.
22. (a) Whitlock, H. W.; Oester, M. Y. J. Am. Chem. Soc. 1973, 95, 5738-41.
23. y absorption in ref 14a is low by a factor of 10 (typographical error) and the spectrum of ZnTPBC given in ref 14b apparently is that of the ZnTPBC·py complex further studied in ref 10.
24. Kasha, M.; Rawls, H. R.; El-Bayoumi, M. A. Pure Appl. Chem. 1965, 11, 371-92.
25. Slater, J. C. Quantum Theory of Atomic Structure; McGraw Hill: New York, 1960; Vol. I, pp 156-7.