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Volumn 117, Issue 14, 2002, Pages 6794-6802

Green emission from poly(fluorene)s: The role of oxidation

Author keywords

[No Author keywords available]

Indexed keywords

COPOLYMERS; ELECTROLUMINESCENCE; GROUND STATE; KETONES; MOLECULAR WEIGHT DISTRIBUTION; MOLECULES; OPTICAL PROPERTIES; OPTIMIZATION; OXIDATION; PHOTOLUMINESCENCE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

EID: 0037044496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1507106     Document Type: Article
Times cited : (210)

References (53)
  • 21
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    • © 1994 Semichem, 7128 Summit, Shawnee, KS 66216
    • AMPAC 5.0 User's Manual, © 1994 Semichem, 7128 Summit, Shawnee, KS 66216.
    • AMPAC 5.0 User's Manual
  • 26
    • 0011324685 scopus 로고    scopus 로고
    • Service de Chimie des Matériaux Nouveaux, Mons (Belgium)
    • ZOA V2.0, J. P. Calbert, Service de Chimie des Matériaux Nouveaux, Mons (Belgium)
    • ZOA V2.0
    • Calbert, J.P.1
  • 29
    • 1842413698 scopus 로고    scopus 로고
    • note
    • A 2D real-space analysis of the optical response of conjugated materials based on the collective-electronic oscillator representation can also be found in: Sh. Mukamel, S Tretiak, T. Wagersreiter, and V. Chernyak, Science 277, 781 (1997).
    • (1997) Science , vol.277 , pp. 781
  • 30
    • 0011315794 scopus 로고    scopus 로고
    • note
    • The electron-hole two-particle wave function for the singlet state, as defined in Ref. 20, is symmetric with respect to the electron and hole coordinates. This symmetry is found also in Ref. 22.
  • 34
    • 0033722865 scopus 로고    scopus 로고
    • note
    • In this context it is interesting to mention that the experimental emission spectrum of poly(fluorenone) peaks at 2.12 eV. [F. Uckert, Y.-H. Tak, K. Müllen, and H. Bässler, Adv. Mater. 12, 905 (2000)].
    • (2000) Adv. Mater. , vol.12 , pp. 905
    • Uckert, F.1    Tak, Y.-H.2    Müllen, K.3    Bässler, H.4
  • 37
    • 0000300024 scopus 로고
    • and for the solid state it is planar on average [B. Trotter, Acta Crystallogr. 14, 1135 (1961)]
    • (1961) Acta Crystallogr. , vol.14 , pp. 1135
    • Trotter, B.1
  • 41
    • 0011271451 scopus 로고    scopus 로고
    • note
    • 4 are strongly underestimated both in TD-DFT and even more significantly in INDO/SCI.
  • 42
    • 0000431034 scopus 로고
    • note
    • * state in fluorenone dissolved in nonpolar solvents using picosecond time-resolved spectroscopy. [T. Kobayashi and S. Nagakura, Chem. Phys. Lett. 43, 429 (1976).]
    • (1976) Chem. Phys. Lett. , vol.43 , pp. 429
    • Kobayashi, T.1    Nagakura, S.2
  • 43
    • 0011271067 scopus 로고    scopus 로고
    • note
    • 4FLO is unfortunately beyond present computational capacities.
  • 44
    • 0011308681 scopus 로고    scopus 로고
    • note
    • 1 geometry.
  • 49
    • 0011348434 scopus 로고
    • note
    • D. J. Mitchell, G. B. Schuster, and H. G. Drickamer, J. Chem. Phys. 67, 4832 (1977). There the increase in the quantum efficiency is attributed to a decrease of the lowest π-π excited singlet relative to other excited states at increasing pressure. For the relaxed excited-state geometry, we, however, find the two lowest excited states of FLO at virtually the same energy already in the isolated molecule.
    • (1977) J. Chem. Phys. , vol.67 , pp. 4832
    • Mitchell, D.J.1    Schuster, G.B.2    Drickamer, H.G.3
  • 52
    • 0011364467 scopus 로고    scopus 로고
    • note
    • Due to the complications with the AM1/MECI approach outlined in the methodology section and in Ref. 31, performing this study ofr excited-state conformations would yield results which depended on the CI-active space chosen for the geometry optimizations. The active space might have to be adapted to the inter-ring twist angle and, therefore, the reliability of the obtained trends would not be satisfactory.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.