메뉴 건너뛰기




Volumn 131, Issue 23, 2009, Pages

Conical Intersections, charge localization, and photoisomerization pathway selection in a minimal model of a degenerate monomethine dye

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC MOLECULES; BONDING STRUCTURE; CHARGE LOCALIZATION; COHERENT CONTROL; CONICAL INTERSECTION; DECAY CHANNELS; DIABATIC; FRANCK-CONDON; LEFT-RIGHT SYMMETRY; MECHANISTIC MODELS; METHINE; MINIMAL MODEL; SINGLE BOND; THEORETICAL RESULT; TWIST ANGLES; VALENCE BONDS;

EID: 73449087381     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3267862     Document Type: Article
Times cited : (21)

References (92)
  • 1
    • 84948411897 scopus 로고    scopus 로고
    • Ullmann's Encyclopedia of Industrial Chemistry (Wiley-VCH, Berlin)
    • H. Berneth, Methine Dyes and Pigments, Ullmann's Encyclopedia of Industrial Chemistry (Wiley-VCH, Berlin, 2008).
    • (2008) Methine Dyes and Pigments
    • Berneth, H.1
  • 3
    • 0035940246 scopus 로고    scopus 로고
    • Radiationless relaxation in a synthetic analogue of the green fluorescent protein chromophore
    • DOI 10.1021/jp011430u
    • N. Webber, K. Litvinenko, and S. Meech, J. Phys. Chem. B 1089-5647 105, 8036 (2001). 10.1021/jp011430u (Pubitemid 35338873)
    • (2001) Journal of Physical Chemistry B , vol.105 , Issue.33 , pp. 8036-8039
    • Webber, N.M.1    Litvinenko, K.L.2    Meech, S.R.3
  • 5
    • 0017331951 scopus 로고
    • 0003-9861. 10.1016/0003-9861(77)90156-4
    • R. Chen, Arch. Biochem. Biophys. 0003-9861 179, 672 (1977). 10.1016/0003-9861(77)90156-4
    • (1977) Arch. Biochem. Biophys. , vol.179 , pp. 672
    • Chen, R.1
  • 7
    • 36048934998 scopus 로고    scopus 로고
    • Ultrafast excited-state dynamics of oxazole yellow DNA intercalators
    • DOI 10.1021/jp073182t
    • A. Furstenberg and E. Vauthey, J. Phys. Chem. B 1089-5647 111, 12610 (2007). 10.1021/jp073182t (Pubitemid 350097610)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.43 , pp. 12610-12620
    • Furstenberg, A.1    Vauthey, E.2
  • 10
    • 32244434435 scopus 로고    scopus 로고
    • Probing the decay coordinate of the green fluorescent protein: Arrest of cis-trans isomerization by the protein significantly narrows the fluorescence spectra
    • DOI 10.1021/ja0555421
    • S. Stavrov, K. Solntsev, L. Tolbert, and D. Huppert, J. Am. Chem. Soc. 0002-7863 128, 1540 (2006). 10.1021/ja0555421 (Pubitemid 43214866)
    • (2006) Journal of the American Chemical Society , vol.128 , Issue.5 , pp. 1540-1546
    • Stavrov, S.S.1    Solntsev, K.M.2    Tolbert, L.M.3    Huppert, D.4
  • 12
    • 17644419586 scopus 로고    scopus 로고
    • Systematic control of photochemistry: The dynamics of photoisomerization of a model cyanine dye
    • DOI 10.1021/ja045652s
    • P. A. Hunt and M. A. Robb, J. Am. Chem. Soc. 0002-7863 127, 5720 (2005). 10.1021/ja045652s (Pubitemid 40569885)
    • (2005) Journal of the American Chemical Society , vol.127 , Issue.15 , pp. 5720-5726
    • Hunt, P.A.1    Robb, M.A.2
  • 15
    • 0031663369 scopus 로고    scopus 로고
    • The green fluorescent protein
    • DOI 10.1146/annurev.biochem.67.1.509
    • R. Y. Tsien, Annu. Rev. Biochem. 0066-4154 67, 509 (1998). 10.1146/annurev.biochem.67.1.509 (Pubitemid 28411137)
    • (1998) Annual Review of Biochemistry , vol.67 , pp. 509-544
    • Tsien, R.Y.1
  • 16
    • 34247844362 scopus 로고    scopus 로고
    • Experimental and computational investigation of unsymmetrical cyanine dyes: Understanding torsionally responsive fluorogenic dyes
    • DOI 10.1021/ja070025z
    • G. L. Silva, V. Ediz, D. Yaron, and B. A. Armitage, J. Am. Chem. Soc. 0002-7863 129, 5710 (2007). 10.1021/ja070025z (Pubitemid 46697662)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.17 , pp. 5710-5718
    • Silva, G.L.1    Ediz, V.2    Yaron, D.3    Armitage, B.A.4
  • 17
    • 0001406687 scopus 로고
    • 0034-6861. 10.1103/RevModPhys.14.275
    • L. G. S. Brooker, Rev. Mod. Phys. 0034-6861 14, 275 (1942). 10.1103/RevModPhys.14.275
    • (1942) Rev. Mod. Phys. , vol.14 , pp. 275
    • Brooker, L.G.S.1
  • 19
    • 0000123518 scopus 로고
    • 0002-7863. 10.1021/ja00266a020
    • K. Freedman and R. Becker, J. Am. Chem. Soc. 0002-7863 108, 1245 (1986). 10.1021/ja00266a020
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 1245
    • Freedman, K.1    Becker, R.2
  • 20
    • 0025034111 scopus 로고
    • 0006-3495. 10.1016/S0006-3495(90)82403-6
    • R. Govindjee, S. Balashov, and T. Ebrey, Biophys. J. 0006-3495 58, 597 (1990). 10.1016/S0006-3495(90)82403-6
    • (1990) Biophys. J. , vol.58 , pp. 597
    • Govindjee, R.1    Balashov, S.2    Ebrey, T.3
  • 21
    • 34248189488 scopus 로고    scopus 로고
    • Isomerization through conical intersections
    • DOI 10.1146/annurev.physchem.57.032905.104612
    • B. G. Levine and T. J. Martinez, Annu. Rev. Phys. Chem. 0066-426X 58, 613 (2007). 10.1146/annurev.physchem.57.032905.104612 (Pubitemid 46877603)
    • (2007) Annual Review of Physical Chemistry , vol.58 , pp. 613-634
    • Levine, B.G.1    Martinez, T.J.2
  • 25
    • 0242417585 scopus 로고    scopus 로고
    • Relationship between photoisomerization path and intersection space in a retinal chromophore model
    • DOI 10.1021/ja027352l
    • A. Migani, M. Robb, and M. Olivucci, J. Am. Chem. Soc. 0002-7863 125, 2804 (2003). 10.1021/ja027352l (Pubitemid 36512266)
    • (2003) Journal of the American Chemical Society , vol.125 , Issue.9 , pp. 2804-2808
    • Migani, A.1    Robb, M.A.2    Olivucci, M.3
  • 28
    • 3042782972 scopus 로고    scopus 로고
    • 0301-0104. 10.1016/j.chemphys.2004.04.022
    • N. Y. A. Baffour-Awuah and M. Zimmer, Chem. Phys. 0301-0104 303, 7 (2004). 10.1016/j.chemphys.2004.04.022
    • (2004) Chem. Phys. , vol.303 , pp. 7
    • Baffour-Awuah, N.Y.A.1    Zimmer, M.2
  • 30
  • 33
    • 34250319761 scopus 로고    scopus 로고
    • Tracking ultrafast excited-state bond-twisting motion in solution close to the franck-condon point
    • DOI 10.1021/jp068652i
    • B. Dietzek, T. Pascher, and A. Yartsev, J. Phys. Chem. B 1089-5647 111, 6034 (2007). 10.1021/jp068652i (Pubitemid 46918234)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.21 , pp. 6034-6041
    • Dietzek, B.1    Pascher, T.2    Yartsev, A.3
  • 34
    • 33845794905 scopus 로고    scopus 로고
    • Mechanisms of molecular response in the optimal control of photoisomerization
    • DOI 10.1103/PhysRevLett.97.258301
    • B. Dietzek, B. Brüggemann, T. Pascher, and A. Yartsev, Phys. Rev. Lett. 0031-9007 97, 258301 (2006). 10.1103/PhysRevLett.97.258301 (Pubitemid 44974759)
    • (2006) Physical Review Letters , vol.97 , Issue.25 , pp. 258301
    • Dietzek, B.1    Bruggemann, B.2    Pascher, T.3    Yartsev, A.4
  • 36
    • 59649094525 scopus 로고    scopus 로고
    • 0301-0104. 10.1016/j.chemphys.2008.10.017
    • B. Dietzek, A. N. Tarnovsky, and A. Yartsev, Chem. Phys. 0301-0104 357, 54 (2009). 10.1016/j.chemphys.2008.10.017
    • (2009) Chem. Phys. , vol.357 , pp. 54
    • Dietzek, B.1    Tarnovsky, A.N.2    Yartsev, A.3
  • 37
    • 34249034210 scopus 로고    scopus 로고
    • Watching ultrafast barrierless excited-state isomerization of pseudocyanine in real time
    • DOI 10.1021/jp066471a
    • B. Dietzek, A. Yartsev, and A. Tarnovsky, J. Phys. Chem. B 1089-5647 111, 4520 (2007). 10.1021/jp066471a (Pubitemid 46787647)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.17 , pp. 4520-4526
    • Dietzek, B.1    Yartsev, A.2    Tarnovsky, A.N.3
  • 42
    • 66549121283 scopus 로고    scopus 로고
    • 0021-9606. 10.1063/1.3121324
    • S. Olsen and R. H. McKenzie, J. Chem. Phys. 0021-9606 130, 184302 (2009). 10.1063/1.3121324
    • (2009) J. Chem. Phys. , vol.130 , pp. 184302
    • Olsen, S.1    McKenzie, R.H.2
  • 43
    • 33847320616 scopus 로고    scopus 로고
    • Radiationless decay of red fluorescent protein chromophore models via twisted intramolecular charge-transfer states
    • DOI 10.1021/ja066430s
    • S. Olsen and S. C. Smith, J. Am. Chem. Soc. 0002-7863 129, 2054 (2007). 10.1021/ja066430s (Pubitemid 46318277)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.7 , pp. 2054-2065
    • Olsen, S.1    Smith, S.C.2
  • 44
    • 46949088950 scopus 로고    scopus 로고
    • Bond selection in the photoisomerization reaction of anionic green fluorescent protein and kindling fluorescent protein chromophore models
    • DOI 10.1021/ja078193e
    • S. Olsen and S. C. Smith, J. Am. Chem. Soc. 0002-7863 130, 8677 (2008). 10.1021/ja078193e (Pubitemid 351962501)
    • (2008) Journal of the American Chemical Society , vol.130 , Issue.27 , pp. 8677-8689
    • Olsen, S.1    Smith, S.C.2
  • 45
    • 5644244488 scopus 로고    scopus 로고
    • Conical intersection dynamics in solution: The chromophore of Green Fluorescent Protein
    • DOI 10.1039/b401167h
    • A. Toniolo, S. Olsen, L. Manohar, and T. J. Martinez, Faraday Discuss. 0301-7249 127, 149 (2004). 10.1039/b401167h (Pubitemid 39369443)
    • (2004) Faraday Discussions , vol.127 , pp. 149-163
    • Toniolo, A.1    Olsen, S.2    Manohar, L.3    Martinez, T.J.4
  • 46
    • 0037137775 scopus 로고    scopus 로고
    • Analytical gradients of a state average MCSCF state and a state average diagnostic
    • DOI 10.1080/002689700110005642
    • J. Stlring, A. Bernhardsson, and R. Lindh, Mol. Phys. 0026-8976 99, 103 (2001). 10.1080/002689700110005642 (Pubitemid 35236378)
    • (2001) Molecular Physics , vol.99 , Issue.2 , pp. 103-114
    • Stalring, J.1    Bernhardsson, A.2    Lindh, R.3
  • 47
    • 25144477699 scopus 로고    scopus 로고
    • edited by K. B. Lipkowitz, R. Larter, and T. R. Cundari (VCH, New York)
    • S. Shaik and Philippe C. Hiberty, in Reviews in Computational Chemistry, edited by, K. B. Lipkowitz, R. Larter, and, T. R. Cundari, (VCH, New York, 2004), Vol. 20, p. 1.
    • (2004) Reviews in Computational Chemistry , vol.20 , pp. 1
    • Shaik, S.1    Hiberty, P.C.2
  • 48
    • 36448989656 scopus 로고    scopus 로고
    • Is my chemical universe localized or delocalized? Is there a future for chemical concepts?
    • DOI 10.1039/b711641c
    • S. Shaik, New J. Chem. 1144-0546 31, 2015 (2007). 10.1039/b711641c (Pubitemid 350174510)
    • (2007) New Journal of Chemistry , vol.31 , Issue.12 , pp. 2015-2028
    • Shaik, S.1
  • 49
    • 0008034716 scopus 로고
    • 0001-4842. 10.1021/ar50037a001
    • R. Hoffmann, Acc. Chem. Res. 0001-4842 4, 1 (1971). 10.1021/ar50037a001
    • (1971) Acc. Chem. Res. , vol.4 , pp. 1
    • Hoffmann, R.1
  • 51
    • 0043141259 scopus 로고
    • 0002-7863. 10.1021/ja00540a008
    • A. Warshel and R. M. Weiss, J. Am. Chem. Soc. 0002-7863 102, 6218 (1980). 10.1021/ja00540a008
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 6218
    • Warshel, A.1    Weiss, R.M.2
  • 52
    • 0542375277 scopus 로고
    • 0022-3654. 10.1021/j100378a052
    • Y. T. Chang and W. H. Miller, J. Phys. Chem. 0022-3654 94, 5884 (1990). 10.1021/j100378a052
    • (1990) J. Phys. Chem. , vol.94 , pp. 5884
    • Chang, Y.T.1    Miller, W.H.2
  • 54
    • 0025362038 scopus 로고
    • Mechanism of ground-state-forbidden photochemical pericyclic reactions: Evidence for real conical intersections
    • DOI 10.1021/ja00161a013
    • F. Bernardi, S. De, M. Olivucci, and M. Robb, J. Am. Chem. Soc. 0002-7863 112, 1737 (1990). 10.1021/ja00161a013 (Pubitemid 20217083)
    • (1990) Journal of the American Chemical Society , vol.112 , Issue.5 , pp. 1737-1744
    • Bernardi, F.1    De, S.2    Olivucci, M.3    Robb, M.A.4
  • 55
    • 33747843903 scopus 로고    scopus 로고
    • Excited states of conjugated hydrocarbons using the molecular mechanics - Valence bond (MMVB) method: Conical intersections and dynamics
    • DOI 10.1007/s00214-006-0113-5
    • M. Bearpark, M. Boggio-Pasqua, M. Robb, and F. Ogliaro, Theor. Chem. Acc. 1432-881X 116, 670 (2006). 10.1007/s00214-006-0113-5 (Pubitemid 44286546)
    • (2006) Theoretical Chemistry Accounts , vol.116 , Issue.4-5 , pp. 670-682
    • Bearpark, M.J.1    Boggio-Pasqua, M.2    Robb, M.A.3    Ogliaro, F.4
  • 58
    • 33750304287 scopus 로고    scopus 로고
    • Excited-state charge transfer at a conical intersection: Effects of an environment
    • DOI 10.1021/jp057569c
    • I. Burghardt and J. Hynes, J. Phys. Chem. A 1089-5639 110, 11411 (2006). 10.1021/jp057569c (Pubitemid 44626470)
    • (2006) Journal of Physical Chemistry A , vol.110 , Issue.40 , pp. 11411-11423
    • Burghardt, I.1    Hynes, J.T.2
  • 62
    • 2342638866 scopus 로고    scopus 로고
    • Origin, nature, and fate of the fluorescent state of the green fluorescent protein chromophore at the CASPT2//CASSCF resolution
    • DOI 10.1021/ja037278m
    • M. E. Martin, F. Negri, and M. Olivucci, J. Am. Chem. Soc. 0002-7863 126, 5452 (2004). 10.1021/ja037278m (Pubitemid 38596357)
    • (2004) Journal of the American Chemical Society , vol.126 , Issue.17 , pp. 5452-5464
    • Martin, M.E.1    Negri, F.2    Olivucci, M.3
  • 63
    • 0034682684 scopus 로고    scopus 로고
    • 0305-4470. 10.1088/0305-4470/33/32/305
    • D. Cocolicchio and M. Viggiano, J. Phys. A 0305-4470 33, 5669 (2000). 10.1088/0305-4470/33/32/305
    • (2000) J. Phys. A , vol.33 , pp. 5669
    • Cocolicchio, D.1    Viggiano, M.2
  • 64
    • 73449127507 scopus 로고    scopus 로고
    • note
    • The formulas for the eigenvectors given in Ref. are apparently in error; we are grateful to Anthony Jacko for pointing this out and for providing the needed corrections.
  • 65
    • 73449095173 scopus 로고    scopus 로고
    • See EPAPS supplementary material E-JCPSA6-131-053946 for a collection of supplementary figures
    • See EPAPS supplementary material http://dx.doi.org/10.1063/1.3267862 E-JCPSA6-131-053946 for a collection of supplementary figures.
  • 73
    • 0035813718 scopus 로고    scopus 로고
    • 0947-6539. 10.1002/1521-3765(20011105)7:21<4536::AID-CHEM4536>3.0. CO;2-N
    • R. S. H. Liu and G. S. Hammond, Chem.-Eur. J. 0947-6539 7, 4536 (2001). 10.1002/1521-3765(20011105)7:21<4536::AID-CHEM4536>3.0.CO;2-N
    • (2001) Chem.-Eur. J. , vol.7 , pp. 4536
    • Liu, R.S.H.1    Hammond, G.S.2
  • 74
    • 0034873443 scopus 로고    scopus 로고
    • 0001-4842. 10.1021/ar000165c
    • R. S. H. Liu, Acc. Chem. Res. 0001-4842 34, 555 (2001). 10.1021/ar000165c
    • (2001) Acc. Chem. Res. , vol.34 , pp. 555
    • Liu, R.S.H.1
  • 80
    • 33845558643 scopus 로고
    • 0002-7863. 10.1021/ja00403a014
    • S. Shaik, J. Am. Chem. Soc. 0002-7863 103, 3692 (1981). 10.1021/ja00403a014
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 3692
    • Shaik, S.1
  • 82
    • 0033104833 scopus 로고    scopus 로고
    • 1433-7851. 10.1002/(SICI)1521-3773(19990301)38:5<586::AID- ANIE586>3.0.CO;2-T
    • S. Shaik, Angew. Chem., Int. Ed. 1433-7851 38, 586 (1999). 10.1002/(SICI)1521-3773(19990301)38:5<586::AID-ANIE586>3.0.CO;2-T
    • (1999) Angew. Chem., Int. Ed. , vol.38 , pp. 586
    • Shaik, S.1
  • 83
    • 0002231636 scopus 로고    scopus 로고
    • 0166-1280. 10.1016/S0166-1280(97)00223-6
    • A. Shurki and S. Shaik, J. Mol. Struct.: THEOCHEM 0166-1280 424, 37 (1998). 10.1016/S0166-1280(97)00223-6
    • (1998) J. Mol. Struct.: THEOCHEM , vol.424 , pp. 37
    • Shurki, A.1    Shaik, S.2
  • 84
    • 0032486209 scopus 로고    scopus 로고
    • 1433-7851. 10.1002/(SICI)1521-3773(19980605)37:10<1394::AID- ANIE1394>3.0.CO;2-J
    • S. Zilberg, Y. Haas, D. Danovich, and S. Shaik, Angew. Chem., Int. Ed. 1433-7851 37, 1394 (1998). 10.1002/(SICI)1521-3773(19980605)37:10<1394::AID- ANIE1394>3.0.CO;2-J
    • (1998) Angew. Chem., Int. Ed. , vol.37 , pp. 1394
    • Zilberg, S.1    Haas, Y.2    Danovich, D.3    Shaik, S.4
  • 85
  • 86
    • 33750362070 scopus 로고    scopus 로고
    • Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phases
    • DOI 10.1021/jp0625199
    • G. Hong, E. Rosta, and A. Warshel, J. Phys. Chem. B 1089-5647 110, 19570 (2006). 10.1021/jp0625199 (Pubitemid 44626439)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.39 , pp. 19570-19574
    • Hong, G.1    Rosta, E.2    Warshel, A.3
  • 87
    • 26744435368 scopus 로고
    • 0031-9007. 10.1103/PhysRevLett.42.1698
    • W. Su, J. Schrieffer, and A. Heeger, Phys. Rev. Lett. 0031-9007 42, 1698 (1979). 10.1103/PhysRevLett.42.1698
    • (1979) Phys. Rev. Lett. , vol.42 , pp. 1698
    • Su, W.1    Schrieffer, J.2    Heeger, A.3
  • 89
    • 33751386494 scopus 로고
    • 0022-3654. 10.1021/j100113a048
    • J. Reimers, J. Craw, and N. Hush, J. Phys. Chem. 0022-3654 97, 2778 (1993). 10.1021/j100113a048
    • (1993) J. Phys. Chem. , vol.97 , pp. 2778
    • Reimers, J.1    Craw, J.2    Hush, N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.