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Volumn 108, Issue 25, 2004, Pages 8641-8646

Limitations of essential-state models for the description of two-photon absorption processes: The example of bis(dioxaborine)-substituted chromophores

Author keywords

[No Author keywords available]

Indexed keywords

BOND LINKING; FLUORESCENCE MICROSCOPY (FM); TWO-PHOTON ABSORPTION (TPA);

EID: 3142746853     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036754s     Document Type: Article
Times cited : (33)

References (41)
  • 16
    • 0000801244 scopus 로고
    • Peticolas, W. L. Annu. Rev. Phys. Chem. 1967, 18, 233. Zaleśny, R.; Bartowiak, W.; Styrcz, S.; Leszczynski, J. J. Phys. Chem. A 2002, 106, 4032.
    • (1967) Annu. Rev. Phys. Chem. , vol.18 , pp. 233
    • Peticolas, W.L.1
  • 28
    • 3142746426 scopus 로고    scopus 로고
    • note
    • To reduce experimental noise in the reference data and to allow for arbitrary wavelength intervals, a smooth curve fit to the discrete literature data was used. As TPA reference data for coumarin 307 showed significant discrepancies between different, overlapping, wavelength regions (obtained using different laser optics), these data were piecewise scaled to eliminate discontinuities, keeping the average δ of overlapping regions constant. A sum of 4, 2, and 5 Gaussian functions was used to fit the TPA reference spectra of bis-MSB, coumarin 307, and fluorescein, respectively.
  • 31
    • 84862378452 scopus 로고    scopus 로고
    • Zojer, E.; Wenseleers, W.; Halik, M.; Grasso, C.; Barlow, S.; Perry, J. W.; Marder, S. R.; Brédas, J. L. Submitted
    • Zojer, E.; Wenseleers, W.; Halik, M.; Grasso, C.; Barlow, S.; Perry, J. W.; Marder, S. R.; Brédas, J. L. Submitted.
  • 38
    • 3142709795 scopus 로고    scopus 로고
    • note
    • We use δ̄ here, as the value calculated by eq 2 (before combining the value with a line-shape function) corresponds to the integral TPA cross section into a particular excited state, while the values usually given in the literature correspond to peak values.
  • 39
    • 3142736156 scopus 로고    scopus 로고
    • note
    • Our calculations are performed for molecules in the gas phase (i.e., the influence of the solvent on the molecular geometry and on transition dipoles and transition energies is not considered). Thus, L and n are set to 1.
  • 40
    • 3142727410 scopus 로고    scopus 로고
    • note
    • 1 state for instance, we find excited-state relaxation energies of 0.15 eV in chromophore I and only 0.09 eV in II, when optimizing the excited-state geometries by coupling the AM1 Hamiltonian to a single configuration interaction scheme including 16 occupied and 16 unoccupied orbitals.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.