Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Tensor Components in Three Pulse Vibrational Echoes of a Rigid Dipeptide

  • Dreyer, Jens (Max-Born-Institut für Nichtlineare Optik undKurzzeitspektroskopie) ;
  • Moran, Andrew M. (Department of Chemistry, Department of Physics and Astronomy,University of Rochester) ;
  • Mukamel, Shaul (Department of Chemistry, Department of Physics and Astronomy,University of Rochester)
  • Published : 2003.08.20
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Abstract

The effects of different polarization conditions on vibrational echo signals are systematically explored for the rigid cyclic dipeptide 2,5-diazabicyclo[2,2,2]octane-3,6-dione. An anharmonic vibrational Hamiltonian is constructed by computing energy derivatives to fourth order using density functional theory. Molecular frame transition dipole orientations are then used to calculate polarization dependent orientational factors corresponding to various Liouville space pathways. Enhancement and elimination of specific peaks in twodimensional correlation plots is accomplished by identifying appropriate pulse configurations.

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References

  1. Mukamel, S. Annu. Rev. Phys. Chem. 2000, 51, 691. https://doi.org/10.1146/annurev.physchem.51.1.691
  2. Special Issue in Chem. Phys.; Mukamel, S.; Hochstrasser, R.,Eds.; 2001; vol. 135.
  3. Hochstrasser, R. M. Chem. Phys. 2001, 266, 273. https://doi.org/10.1016/S0301-0104(01)00232-4
  4. Golonzka, O.; Tokmakoff, A. J. Chem. Phys. 2001, 115, 297. https://doi.org/10.1063/1.1376144
  5. Hamm, P.; Lim, M.; DeGrado, W. F.; Hochstrasser, R. M. Proc.Natl. Acad. Sci. U.S.A. 1999, 96, 2036. https://doi.org/10.1073/pnas.96.5.2036
  6. Woutersen, S.; Hamm, P. J. Phys. Chem. B 2000, 104, 11316. https://doi.org/10.1021/jp001546a
  7. Zanni, M. T.; Gnanakaran, S.; Stenger, J.; Hochstrasser, R. M. J.Phys. Chem. B 2001, 105, 6520. https://doi.org/10.1021/jp0100093
  8. Zanni, M. T.; Ge, N.-H.; Kim, Y. S.; Hochstrasser, R. M. Proc.Natl. Acad. Sci. U.S.A. 2001, 98, 11265. https://doi.org/10.1073/pnas.201412998
  9. Ge, N.-H.; Hochstrasser, R. M. Phys. Chem. Comm. 2002, 5, 17.
  10. Moran, A. M.; Dreyer, J.; Mukamel, S. J. Chem. Phys. 2003, 118,1347. https://doi.org/10.1063/1.1528605
  11. Moran, A. M.; Park, S.-M.; Dreyer, J.; Mukamel, S. J. Chem.Phys. 2003, 118, 3651. https://doi.org/10.1063/1.1538243
  12. Dreyer, J.; Moran, A. M.; Mukamel, S. J. Phys. Chem. B 2003,107, 5967. https://doi.org/10.1021/jp030108b
  13. Mukamel, S. Principles of Nonlinear Optical Spectroscopy;Oxford University Press: New York, Oxford, 1995.
  14. Molecular Light Scattering and Optical Activity; Barron, L. D.,Ed.; Cambridge University Press: Cambridge, 1982.
  15. Lee, C.; Yang, R. G.; Parr, W. Phys. Rev. B 1988, 37, 785. https://doi.org/10.1103/PhysRevB.37.785
  16. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett.1989, 157, 200. https://doi.org/10.1016/0009-2614(89)87234-3
  17. Becke, A. D. J. Chem. Phys. 1993, 98, 5648. https://doi.org/10.1063/1.464913
  18. Hertwig, R. H.; Koch, W. Chem. Phys. Lett. 1997, 268, 345. https://doi.org/10.1016/S0009-2614(97)00207-8
  19. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.;Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery,J. A.; Stratmann, R. E.; Burnat, J. C.; Dapprich, S.; Millam, J. M.;Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.;Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.;Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.;Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.;Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.;Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; AlLaham, M.A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe,M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.;Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A.Gaussian 98 (Revision A.9); Gaussian, Inc.: Pittsburgh, PA, 1988.

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