DOI QR코드

DOI QR Code

Supersonic Free Jet and Ab initio Studies of Electronic-Vibrational Structures of Fluorene

  • 발행 : 1995.04.20

초록

Laser-induced fluorescence (LIF) excitation spectra were measured for fluorene (FR) cooled in pulsed supersonic expansions of He in the range 283.7-296.7 nm. Ab initio studies of FR have also been carried out for determining the electronic and vibrational structures by using the standard 3-21G basis sets. In the LIF excitation spectra of FR, highly resolved vibronic bands are observed having the band origin of 33,791 cm-1. The vibrational bands above the electronic origin were assigned on the basis of the well-characterized electronic vibrational bands reported previously and of normal modes of vibrations derived by our HF/3-21G calculations.

키워드

참고문헌

  1. Ann. Rev. Phys. Chem. v.31 Levy, D. H.
  2. J. Phys. Chem. v.89 Saigusa, H.;Itoh, M.
  3. Chem. Phys. Lett. v.176 CHung, Y. B.;Jang, D.-J.;Kim, D.;Lee, M.;Kim, H. S.;Boo, B. H.
  4. Chem. Phys. Lett. v.153 Lee, M.;Hochstrasser, R. M.
  5. J. Chem. Phys. v.67 Amirav, A.;Even, U.;Jortner, J.
  6. J. Chem. Phys. v.91 Kim, Y. R.;Share, P.;Pereira, M.;Sarisky, M.;Hochstrasser, M.
  7. Helv. Chim. Acta v.55 Labhart, H.;Pantke, E. R.;Seibold, K.
  8. J. Chem. Phys. v.51 Bree, A.;Zwarich, R.
  9. J. Am. Chem. Soc. v.102 Binkley, J. S.;Pople, J. A.;Hehre, W. J.
  10. Ab initio Molecular Orbital Theory Hehre, W. J.;Radom, L.;Schleyer, R. V. R.;Pople, J. A.
  11. J. Chem. Phys. v.75 Amirav, A.;Even, U.;Jortner, J.
  12. J. Chem. Phys. v.79 Leutwyler, S.;Even, U.;Jortner, J.
  13. J. Chem. Phys. v.51 Bree, A.;Zwarich, R.
  14. J. Am. Chem. Soc. v.113 Pacansky, J.;Koch, W.;Miller, M. D.
  15. Int. J. Quantum Chem. Symp. v.15 Pople, J. A.;Krishnan, R.;Schlegel, H. B.;Defrees, D.;Binkley, J. S.;Frisch, M. J.;Whiteside, R. F.;Hout, R. F.;Hehre, W. J.
  16. Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian Foresman, J. B.
  17. Boo, B. H.;Seo, H. Y.;Kang, S. K.;Hong, D. S.;Nak, H.-K.
  18. J. Chem. Phys. v.27 Longuett-Higgins, H. C.;Pople, J. A.
  19. Chim, Acta v.35A Decker, C.