TD-DFT calculations of the potential energy curves for the trans-cis photo-isomerization of protonated Schiff base of retinal

Journal of Photochemistry and Photobiology B: Biology

Volumn 76, Issue 1-3, 2004, Pages 55-60

  Tachikawa, Hiroto ^a   Iyama, Tetsuji ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

Avoided crossing; Excitation energy; Potential energy curve; Protonated Schiff base of retinal; Trans cis Photo isomerization

Indexed keywords

BACTERIORHODOPSIN; CARBON; SCHIFF BASE; VISUAL PIGMENT;

ARTICLE; CALCULATION; CHEMICAL BOND; CIS ISOMER; CONTROLLED STUDY; CROSS REACTION; DENSITY FUNCTIONAL THEORY; ENERGY YIELD; ISOMERIZATION; LIGHT ABSORPTION; PHASE TRANSITION; PHOTOSTIMULATION; PRIORITY JOURNAL; PROTON TRANSPORT; TRANS ISOMER;

ENERGY TRANSFER; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; PROTONS; QUANTUM THEORY; RETINALDEHYDE; SCHIFF BASES; THERMODYNAMICS; TIME FACTORS;

EID: 5644226429     PISSN: 10111344     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotobiol.2004.07.005     Document Type: Article

References (19)

1. L. Song M.A. El-Sayed J.K. Lanyi Protein catalysis of the retinal subpicosecond photoisomerization in the primary process of bacteriorhodopsin photosynthesis Science 261 1993 891-894
2. D. Oesterhelt W. Stoeckenius Isolation of the cell membrane of Halobacterium halobium and its fractionation into red and purple membrane. In: S. Freischer L. Packer (Eds.). Methods of Enzymology, Biomembranes Part A vol. 31 1974 Academic Press New York 667-678
3. R.H. Lozier R.A. Bogomolni W. Stoeckenius Isolation of the cell membrane of Halobacterium halobium and its fractionation into red and purple membrane Biophys. J. 15 1975 955-962
4. R.A. Mathies C.H. Brito Cruz W.T. Pollard C.V. Shank Direct observation of the femtosecond excited-state cis-trans isomerization in bacteriorhodopsin Science 240 1988 777-779
5. J. Dobler W. Zinth W. Kaiser D. Oesterhelt Excited-state reaction dynamics of bacteriorhodopsin studied by femtosecond spectroscopy Chem. Phys. Lett. 144 1988 215-220
6. R.W. Shoenlein L.A. Peteanu Q. Wang R.A. Mathies C.V. Shank Femtosecond dynamics of cis-trans isomerization in a visual pigment analog: isorhodopsin J. Phys. Chem. 97 1993 12087-12092
7. K.C. Hasson Feng Gai P.A. Anfinrud The photoisomerization of retinal in bacteriorhodopsin: experimental evidence for a three-state model Proc. Natl. Acad. Sci. USA 93 1996 15124-15129
8. F. Gai K.C. Hasson J.C. McDonald P.A. Anfinrud Chemical dynamics in proteins: the photoisomerization of retinal in bacteriorhodopsin Science 279 1998 1886-1891
9. L. Song M.A. El-Sayed Primer step in bacteriorhodopsin photosynthesis: bond stretch rather than angle twist of its retinal excited-state structure J. Am. Chem. Soc. 120 1998 8889-8890
10. A. Migani M.A. Robb M. Olivucci Relationship between photoisomerization path and intersection space in a retinal chromophore model J. Am. Chem. Soc. 125 2003 2804-2808
11. T. Vreven F. Bernardi M. Garavelli M. Olivucci M.A. Robb H.B. Schlegel Ab initio photoisomerization dynamics of a simple retinal chromophore model J. Am. Chem. Soc. 119 1997 12687-12688
12. + protonated Schiff base: an ab initio minimal model for retinal photoisomerization J. Am. Chem. Soc. 119 1997 6891-6901
13. A.B.J. Parusel A. Pohorille A semiempirical study of the optimized ground and excited state potential energy surfaces of retinal and its protonated Schiff base J. Photochem. Photobiol. B: Biol. 65 2001 13-21
14. W. Humphrey H. Lu I. Logunov H.-J. Werner K. Schulten Three electronic state model of the primary phototransformation of bacteriorhodopsin Biophys. J. 75 1998 1689-1699
15. T. Kobayashi T. Saito H. Ohtani Real-time spectroscopy of transition states in bacteriorhodopsin during retinal isomerization Nature 414 2001 531-534
16. H. Tachikawa H. Kawabata Ab initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C = O carbonyl compounds J. Mater. Chem. 13 2003 1293-1297
17. M.J. Frisch G.W. Trucks H.B. Schlegel G.E. Scuseria M.A. Robb J.R. Cheeseman V.G. Zakrzewski J.A. Montgomery Jr. 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 N. Rega P. Salvador J.J. Dannenberg D.K. Malick A.D. Rabuck K. Raghavachari J.B. Foresman J. Cioslowski J.V. Ortiz A.G. Baboul 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 M. Challacombe P.M.W. Gill B. Johnson W. Chen M.W. Wong J.L. Andres C. Gonzalez M. Head-Gordon E.S. Replogle J.A. Pople Ab initio molecular orbital program GAUSSIAN 98, Revision A.11.2 2001 Gaussian Inc. Pittsburgh, PA
18. H. Tachikawa H. Kawabata Dynamics of the hole-capture processes in biphenyl and poly(4-vinylbiphenyl): a direct ab initio trajectory study J. Phys. Chem. B 107 2003 1113-1119
19. H. Tachikawa A direct ab initio trajectory study on the ionization dynamics of the water dimer J. Phys. Chem. A 106 2002 6915-6921