Assignment of the Q-Bands of the Chlorophylls: Coherence Loss via Q x-Q y Mixing

Scientific Reports

Volumn 3, Issue , 2013, Pages

  Reimers, Jeffrey R ^a   Cai, Zheng Li ^a   Kobayashi, Rika ^b   Rätsep, Margus ^c   Freiberg, Arvi ^c   Krausz, Elmars ^b  

^a UNIVERSITY OF SYDNEY   (Australia)

^b AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^c UNIVERSITY OF TARTU   (Estonia)

Author keywords

[No Author keywords available]

Indexed keywords

CHLOROPHYLL; ETHER;

ABSORPTION; ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; LIGHT RELATED PHENOMENA; MAGNETISM; QUANTUM THEORY; SPECTROFLUOROMETRY;

ABSORPTION; CHLOROPHYLL; CIRCULAR DICHROISM; ETHER; MAGNETIC PHENOMENA; OPTICAL PHENOMENA; QUANTUM THEORY; SPECTROMETRY, FLUORESCENCE;

EID: 84885125333     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep02761     Document Type: Article

References (50)

1. Novoderezhkin, V. I., Dekker, J. P. & van Grondelle, R. Mixing of Exciton and Charge-Transfer States in Photosystem II Reaction Centers: Modeling of Stark Spectra with Modified Redfield Theory. Biophys. J 93, 1293-1311 (2007). (Pubitemid 47330909)
2. Yin, S. et al. Assignment of the Qy absorption spectrum of photosystem-I from Thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure. J. Phys. Chem. C 111, 9923-9930 (2007). (Pubitemid 47387876)
3. Scholes, G. D., Fleming, G. R., Olaya-Castro, A. & van Grondelle, R. Lessons from nature about solar light harvesting. Nature Chem. 3, 763-774 (2011).
4. Schlau-Cohen, G. S. et al. Elucidation of the timescales and origins of quantum electronic coherence in LHCII. Nature Chem. 4, 389-395 (2012).
5. Mu?, F., Madjet, M. E.-a.Renger, T. Structure-based simulation of linear optical spectra of the CP43 core antenna of photosystem II. Photosyn. Res. 111, 87-101 (2012).
6. Huo, P. & Coker, D. F. Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems. J. Chem. Phys. 136, 115102 (2012).
7. Gouterman, M. Spectra of porphyrins. J. Mol. Spectrosc. 6, 138-163 (1961).
8. Krausz, E. & PetersonA? rsko?d, S. in Artificial Photosynthesis: From Basic Biology to Industrial Application Collings, A. F. & Critchley, C. (eds.) 87-107 (Wiley, London, 2005).
9. Krausz, E., Cox, N. & Arskold, S. P. Spectral characteristics of PS II reaction centres: as isolated preparations and when integral to PS II core complexes. Photosynthesis Res. 98, 207-217 (2008). (Pubitemid 50221583)
10. Weiss, C. Jr. p-Electron structure and absorption spectra of chlorophylls in solution. J. Mol. Spectrosc. 44, 37-80 (1972).
11. Evans, T. A. & Katz, J. J. Evidence for 5-and 6-coordinated magnesium in bacteriochlorophyll a from visible absorption spectroscopy. Biochim. Biophys. Acta, Bioenerg. 396, 414-426 (1975).
12. Hartwich, G. et al. Metal-substituted bacteriochlorophylls. 1. Preparation and influence ofmetal and coordination on spectra. J. Am. Chem. Soc. 120, 3675-3683 (1998). (Pubitemid 28218444)
13. Ba?, F., Land, H., Schnabel, E. & Kuhn, H. Direction of transition moments of absorption bands of phthalocyanines and porphyrins from fluorescence polarization measurements. Z. Elektrochem. Angew. Phys. Chem. 65, 346-354 (1961).
14. Houssier, C. & Sauer, K. Circular dichroism and magnetic circular dichroism of the chlorophyll and protochlorophyll pigments. J. Amer. Chem. Soc. 92, 779-791 (1970).
15. Haegele, W., Schmid, D., Drissler, F., Naus, J. & Wolf, H. C. Optical spectra of chlorophyll a and b molecules and complexes in PMMA and MTHF. Z. Naturforsch., A 33, 1197-1205 (1978).
16. Gouterman, M. & Stryer, L. Fluorescence polarization of some porphyrins. J. Chem. Phys. 37, 2260-2266 (1962).
17. Deroche, M. E. & Briantais, J. M. Absorption spectra of chlorophyll forms, b-carotene and lutein in freeze-dried chloroplasts. Photochem. Photobio. 19, 233-240 (1974).
18. Rebane, K. K. & Avarmaa, R. A. Sharp line vibronic spectra of chlorophyll and its derivatives in solid solutions. Chem. Phys. 68, 191-200 (1982).
19. Avarmaa, R. A. & Suisalu, A. Optics Spectrosc. 56, 54-59 (1984).
20. Avarmaa, R. A. & Rebane, K. K. High-resolution optical spectra of chlorophyll molecules. Spectrochim. Acta A 41, 1365-1380 (1985).
21. Fragata, M., Norden, B. & Kurucsev, T. Linear dichroism of Chl-a and Pheo-a oriented in a lamellar phase: characterization of electronic transitions. Photochem. Photobio. 47, 133-143 (1988).
22. Umetsu, M., Wang, Z.-Y., Kobayashi, M. & Nozawa, T. Interaction of photosynthetic pigments with various organic solvents: magnetic circular dichroism approach and application to chlorosomes. Biochim. Biophys. Acta, Bioenerg. 1410, 19-31 (1999). (Pubitemid 29074427)
23. Umetsu, M., Wang, Z.-Y. & Nozawa, T. A new approach of magnetic circular dichroism to the electronic state analysis of intact photosynthetic pigments. Recent Res. Dev. Phys. Chem. 5, 185-208 (2001).
24. Umetsu, M., Wang, Z.-Y., Yoza, K., Kobayashi, M. & Nozawa, T. Interaction of photosynthetic pigments with various organic solvents 2. Application of magnetic circular dichroism to bacteriochlorophyll a and light-harvesting complex 1. Biochimica. Biophysica. Acta Bioenerg. 1457, 106-117 (2000). (Pubitemid 30201475)
25. Nonomura, Y., Igarashi, S., Yoshioka, N. & Inoue, H. Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state. Chem. Phys. 220, 155-166 (1997).
26. Helfrich, M. et al. Chlorophylls of the c family: absolute configuration and inhibition of NADPH:protochlorophyllide oxidoreductase. Biochim. Biophys. Acta Bioenerg. 1605, 97-103 (2003). (Pubitemid 36928093)
27. Hughes, J. L., Conlon, B., Wydrzynski, T. & Krausz, E. The assignment of Qy(1,0) vibrational structure and Qx for chlorophyll a. Phys. Procedia 3, 1591-1599 (2010).
28. Ra?sep, M., Linnanto, J. & Freiberg, A. Mirror symmetry and vibrational structure in optical spectra of chlorophyll a. J. Chem. Phys. 130, 194501 (2009).
29. Sundholm, D. Density functional theory calculations of the visible spectrum of chlorophyll a. Chem. Phys. Lett. 302, 480-484 (1999). (Pubitemid 129593889)
30. Sundholm, D. Comparison of the electronic excitation spectra of chlorophyll a and pheophytin a calculated at density functional theory level. Chem. Phys. Lett. 317, 545-552 (2000).
31. Cai, Z.-L., Crossley, M. J., Reimers, J. R., Kobayashi, R. & Amos, R. D. Densityfunctional theory for charge-transfer: the nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations. J. Phys. Chem. B 110, 15624-15632 (2006). (Pubitemid 44334767)
32. Cai, Z.-L., Sendt, K. & Reimers, J. R. Failure of time-dependent density-functional theory for large extended pi systems. J. Chem. Phys. 117, 5543-5549 (2002). (Pubitemid 35170658)
33. Dahlbom, M. G. & Reimers, J. R. Successes and failures of time-dependent density-functional theory for the low-lying excited states of chlorophylls. Molec. Phys. 103, 1057-1065 (2005). (Pubitemid 41673145)
34. Yanai, T., Tew, D. P. & Handy, N. C. A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP). Chem. Phys. Lett. 393, 51-57 (2004).
35. Fischer, G. Vibronic Coupling. (Academic Press, London, 1984).
36. Fulton, R. L. & Gouterman, M. Vibronic Coupling. I.Mathematical Treatment for Two Electronic States. J. Chem. Phys. 35, 1059-1071 (1961).
37. Ra?sep, M., Cai, Z.-L., Reimers, J. R. & Freiberg, A. Demonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Qy fluorescence and absorption spectra of bacteriochlorophyll a. J. Chem. Phys. 134, 024506/024501-024515 (2011).
38. Shi, Y., Liu, J.-Y. & Han, K.-L. Investigation of the internal conversion time of the chlorophyll a from S3, S2 to S1. Chem. Phys. Lett. 410, 260-263 (2005). (Pubitemid 40929411)
39. Visser, H. M. et al. Direct observation of sub-picosecond equilibration of excitation energy in the light-harvesting antenna of Rhodospirillum rubrum. Biophys. J. 69, 1083-1099 (1995).
40. Ganago, A. O., Parker, E. P., Laible, P. D., Albrecht, A. C. & Owens, T. G. Femtosecond dynamics of population and coherence of the S2 singlet excited state of bacteriochlorophyll (the Qx absorption band) in vivo and in vitro. Laser Phys. 5, 693-698 (1995).
41. Causgrove, T. P., Yang, S. & Struve, W. S. Polarized pump-probe spectroscopy of exciton transport in bacteriochlorophyll a-protein from Prosthecochloris aestuarii. J. Phys. Chem. 92, 6790-6795 (1988).
42. Paschenko, V. Z. et al. The rate of QxRQy relaxation in bacteriochlorophylls of reaction centers from Rhodobacter sphaeroides determined by kinetics of the ultrafast carotenoid bandshift. Biochimica et Biophysica Acta (BBA)-Bioenergetics 1817, 1399-1406 (2012).
43. Reimers, J. R. Hush,N. S. Electron and energy transfer through bridged systems. I. Formalism. Chem. Phys. 134, 323 (1989).
44. Hush, N. S. Adiabatic rate processes at electrodes. J. Chem. Phys. 28, 962 (1958).
45. Marcus, R. A. & Sutin, N. Electron transfers in chemistry and biology. Biochim. Biophys. Acta, Rev. Bioenerg. 811, 265-322 (1985). (Pubitemid 15246565)
46. Efrima, S. & Bixon, M. Vibrational effects in outer-sphere electron-transfer reactions in polar media. Chem. Phys. 13, 447-460 (1976).
47. Kobayashi, R. & Amos, R. D. The application of CAM-B3LYP to the chargetransfer band problem of the zincbacteriochlorin-bacteriochlorin complex. Chem. Phys. Lett. 420, 106-109 (2006). (Pubitemid 43290296)
48. Frisch, M. J. et al. GAUSSIAN Development Version Rev. E.02. (Gaussian Inc., Wallingford CT, 2004).
49. Briat, B., Schooley, D. A., Records, R., Bunnenberg, E. & Djerassi, C. Magnetic circular dichroism studies. III. Investigation of some optically active chlorins. J. Am. Chem. Soc. 89, 6170-6177 (1967).
50. Razeghifard, M. R. et al. Spectroscopic Studies of Photosystem II in Chlorophyll d-Containing Acaryochloris marina. Biochemistry 44, 11178-11187 (2005). (Pubitemid 41209054)