Theoretical studies of steric effects on intraligand electron delocalization: Implications for the temporal evolution of MLCT excited states

Journal of Physical Chemistry A

Volumn 102, Issue 19, 1998, Pages 3382-3397

  Damrauer, Niels H ^a   Weldon, Brandon T ^a   McCusker, James K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001464126     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9805095     Document Type: Article

References (55)

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3. See, for example: (a) Dibilio, A. J.; Hill, M. G.; Bonander, N.; Karlsson, B. G.; Villahermosa, R. M.; Malmstrom, B. G.; Winkler, J. R.; Gray, H. B. J. Am. Chem. Soc. 1997, 119, 9921. (b) Winkler, J. R.; Gray, H. B. J. Biol. Inorg. Chem. 1997, 2, 399. (c) Gray, H. B.; Winkler, J. R. Annu. Rev. Biochem. 1996, 65, 537, and references therein. (d) Kelley, S. O.; Holmlin, R. E.; Stemp, E. D. A.; Barton, J. K. J. Am. Chem. Soc. 1997, 119, 9861. (e) Kelly, J. M.; Feeny, M. M.; Jacquet, L.; KirschDeMesmaeker, A.; Lecomte, J. P. Pure Appl. Chem. 1997, 69, 767. (f) Olson, E. J. C.; Hu, D. H.; Hormann, A.; Barbara, P. F. J. Phys. Chem. A 1997, 101, 299. (g) Meade, T. J.; Kayyem, J. F. Angew. Chem., Int. Ed. Engl. 1995, 34, 352.
4. See, for example: (a) Dibilio, A. J.; Hill, M. G.; Bonander, N.; Karlsson, B. G.; Villahermosa, R. M.; Malmstrom, B. G.; Winkler, J. R.; Gray, H. B. J. Am. Chem. Soc. 1997, 119, 9921. (b) Winkler, J. R.; Gray, H. B. J. Biol. Inorg. Chem. 1997, 2, 399. (c) Gray, H. B.; Winkler, J. R. Annu. Rev. Biochem. 1996, 65, 537, and references therein. (d) Kelley, S. O.; Holmlin, R. E.; Stemp, E. D. A.; Barton, J. K. J. Am. Chem. Soc. 1997, 119, 9861. (e) Kelly, J. M.; Feeny, M. M.; Jacquet, L.; KirschDeMesmaeker, A.; Lecomte, J. P. Pure Appl. Chem. 1997, 69, 767. (f) Olson, E. J. C.; Hu, D. H.; Hormann, A.; Barbara, P. F. J. Phys. Chem. A 1997, 101, 299. (g) Meade, T. J.; Kayyem, J. F. Angew. Chem., Int. Ed. Engl. 1995, 34, 352.
5. See, for example: (a) Dibilio, A. J.; Hill, M. G.; Bonander, N.; Karlsson, B. G.; Villahermosa, R. M.; Malmstrom, B. G.; Winkler, J. R.; Gray, H. B. J. Am. Chem. Soc. 1997, 119, 9921. (b) Winkler, J. R.; Gray, H. B. J. Biol. Inorg. Chem. 1997, 2, 399. (c) Gray, H. B.; Winkler, J. R. Annu. Rev. Biochem. 1996, 65, 537, and references therein. (d) Kelley, S. O.; Holmlin, R. E.; Stemp, E. D. A.; Barton, J. K. J. Am. Chem. Soc. 1997, 119, 9861. (e) Kelly, J. M.; Feeny, M. M.; Jacquet, L.; KirschDeMesmaeker, A.; Lecomte, J. P. Pure Appl. Chem. 1997, 69, 767. (f) Olson, E. J. C.; Hu, D. H.; Hormann, A.; Barbara, P. F. J. Phys. Chem. A 1997, 101, 299. (g) Meade, T. J.; Kayyem, J. F. Angew. Chem., Int. Ed. Engl. 1995, 34, 352.
6. See, for example: (a) Dibilio, A. J.; Hill, M. G.; Bonander, N.; Karlsson, B. G.; Villahermosa, R. M.; Malmstrom, B. G.; Winkler, J. R.; Gray, H. B. J. Am. Chem. Soc. 1997, 119, 9921. (b) Winkler, J. R.; Gray, H. B. J. Biol. Inorg. Chem. 1997, 2, 399. (c) Gray, H. B.; Winkler, J. R. Annu. Rev. Biochem. 1996, 65, 537, and references therein. (d) Kelley, S. O.; Holmlin, R. E.; Stemp, E. D. A.; Barton, J. K. J. Am. Chem. Soc. 1997, 119, 9861. (e) Kelly, J. M.; Feeny, M. M.; Jacquet, L.; KirschDeMesmaeker, A.; Lecomte, J. P. Pure Appl. Chem. 1997, 69, 767. (f) Olson, E. J. C.; Hu, D. H.; Hormann, A.; Barbara, P. F. J. Phys. Chem. A 1997, 101, 299. (g) Meade, T. J.; Kayyem, J. F. Angew. Chem., Int. Ed. Engl. 1995, 34, 352.
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55. Both the dpb and dotb systems will also exhibit an evolution in the extent of delocalization, evident from a comparison of Figure 6 with Figure 4. However, the effect should be most pronounced in the case of dmesb.