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Volumn 209, Issue 20, 2008, Pages 2122-2134

The effect of protonation on the optical properties of conjugated fluorene-pyridine copolymersa

Author keywords

Calculations; Photophysics; Polymerization; sensors

Indexed keywords

ABS RESINS; COPOLYMERIZATION; COPOLYMERS; DESORPTION; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; INFRARED SPECTROSCOPY; LIGHT EMISSION; LIGHT SOURCES; LUMINESCENCE; MAGNETIC RESONANCE; MASS SPECTROMETERS; MASS SPECTROMETRY; MATERIALS PROPERTIES; MECHANICAL PROPERTIES; MONOMERS; NUCLEAR MAGNETIC RESONANCE; OPTICAL PROPERTIES; OPTICAL SENSORS; PLASTIC PRODUCTS; POLYACRYLATES; POLYMERS; PROTONATION; PYRIDINE; RESONANCE; SENSORS; SOLID SOLUTIONS; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; THERMOANALYSIS; ULTRAVIOLET SPECTROSCOPY;

EID: 84962367307     PISSN: 10221352     EISSN: 15213935     Source Type: Journal    
DOI: 10.1002/macp.200800386     Document Type: Article
Times cited : (20)

References (74)
  • 1
    • 84962383837 scopus 로고    scopus 로고
    • For examples see: [1a] A. J. Zucchero, J. N. Wilson, U. H. F. Bunz, J. Am. Chem. Soc. 2006, 128, 11872; [1b] S. Kappaun, T. Sovic, F. Stelzer, A. Pogantsch, E. Zojer, C. Slugovc, Org. Biomol. Chem. 2006, 4, 1503; [1c] D. Bai, B. M. Habersberger, G. K. Jennings, J. Am. Chem. Soc. 2005, 127, 16486 and references therein.
    • For examples see: [1a] A. J. Zucchero, J. N. Wilson, U. H. F. Bunz, J. Am. Chem. Soc. 2006, 128, 11872; [1b] S. Kappaun, T. Sovic, F. Stelzer, A. Pogantsch, E. Zojer, C. Slugovc, Org. Biomol. Chem. 2006, 4, 1503; [1c] D. Bai, B. M. Habersberger, G. K. Jennings, J. Am. Chem. Soc. 2005, 127, 16486 and references therein.
  • 28
  • 37
    • 84962355608 scopus 로고    scopus 로고
    • For the sake of simplicity, the term polymer is used in this work
    • For the sake of simplicity, the term "polymer" is used in this work.
  • 42
    • 84962355602 scopus 로고    scopus 로고
    • a-value.
    • a-value".
  • 53
    • 84962435780 scopus 로고    scopus 로고
    • The spectra are obtained by a superposition of Gaussian lineshape functions and thus do not explicitly contain vibronic progressions
    • The spectra are obtained by a superposition of Gaussian lineshape functions and thus do not explicitly contain vibronic progressions.
  • 54
    • 33846490219 scopus 로고    scopus 로고
    • The linear relationship between the S1 energy and 1/n does not hold for very long chains as discussed in detail, e.g., in J. Gierschner, J. Cornil, H.-J. Egelhaaf, Adv. Mater. 2007, 19, 173.
    • The linear relationship between the S1 energy and 1/n does not hold for very long chains as discussed in detail, e.g., in J. Gierschner, J. Cornil, H.-J. Egelhaaf, Adv. Mater. 2007, 19, 173.
  • 59
    • 84962383871 scopus 로고    scopus 로고
    • In this context it has to be kept in mind that for calculating the e-h wavefunctions the full excited state wavefunction is considered going beyond the uncorrelated single determinant picture derived from the dominant orbitals. In fact, one can show that the proper behavior of the exciton can only be obtained when considering the complete SCI-derived wavefunction, while the interaction within the e-h pair is not properly accounted for in a single-determinant picture based on standard orbitals
    • In this context it has to be kept in mind that for calculating the e-h wavefunctions the full excited state wavefunction is considered going beyond the uncorrelated single determinant picture derived from the dominant orbitals. In fact, one can show that the proper behavior of the exciton can only be obtained when considering the complete SCI-derived wavefunction, while the interaction within the e-h pair is not properly accounted for in a single-determinant picture based on standard orbitals.
  • 60
    • 84962383874 scopus 로고    scopus 로고
    • At slightly higher energies a (weaker) optically allowed state concentrated in the left part of the molecule is found
    • At slightly higher energies a (weaker) optically allowed state concentrated in the "left" part of the molecule is found.
  • 61
    • 84962383866 scopus 로고    scopus 로고
    • An exception is the protonation of the terminal pyridine unit 4, which can even result in the lowest-lying state becoming nonemissive see the 3, 4 case in the ESI, This can, however be attributed to end-effects, i.e, a lone pyridine at the end of the chain, which on the one hand should have a relatively minor influence on the polymer spectra and, as discussed above, should actually not happen here, as there is usually a bromo atom attached to terminal pyridines. See also the corresponding remark in the ESI
    • An exception is the protonation of the terminal pyridine unit 4, which can even result in the lowest-lying state becoming nonemissive (see the "3, 4" case in the ESI). This can, however be attributed to "end-effects", i.e., a lone pyridine at the end of the chain, which on the one hand should have a relatively minor influence on the polymer spectra and, as discussed above, should actually not happen here, as there is usually a bromo atom attached to terminal pyridines. See also the corresponding remark in the ESI.
  • 64
    • 84962383851 scopus 로고    scopus 로고
    • Ampac 5.0 User's Manual 1994, Semichem, 7128 Summit, Shwanee, KS66216.
    • Ampac 5.0 User's Manual 1994, Semichem, 7128 Summit, Shwanee, KS66216.
  • 70
    • 84962403418 scopus 로고    scopus 로고
    • ZOA v2.5 Rev
    • Université de Mons-Hainaut, Belgium
    • J. P. Calbert, ZOA v2.5 Rev. 393, Materia Nova, Université de Mons-Hainaut, Belgium 2004.
    • (2004) Materia Nova , vol.393
    • Calbert, J.P.1
  • 71
    • 84962403420 scopus 로고    scopus 로고
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, Revision A.11, Gaussian, Inc, Pittsburgh PA 2001
    • M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98, Revision A.11, Gaussian, Inc., Pittsburgh PA 2001.
  • 73
    • 84962402091 scopus 로고    scopus 로고
    • - counter-ion are discussed in the ESI.
    • - counter-ion are discussed in the ESI.
  • 74
    • 84962342690 scopus 로고    scopus 로고
    • Here no solvent effects were considered. Calculations including the solvent turned out to be primarily important for inducing the proton transfer from the chloride to the pyridine (see ref. [9c]).
    • Here no solvent effects were considered. Calculations including the solvent turned out to be primarily important for inducing the proton transfer from the chloride to the pyridine (see ref. [9c]).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.