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Volumn 104, Issue 27, 2000, Pages 6470-6484

Reorganization parameters of electronic transitions in electronically delocalized systems. 1. Charge transfer reactions

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BANDWIDTH; CHARGE TRANSFER; ELECTRONIC STRUCTURE; ENERGY GAP; FREE ENERGY; MATRIX ALGEBRA; RATE CONSTANTS; SOLVENTS; SPECTROSCOPIC ANALYSIS;

EID: 0033689525     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993885d     Document Type: Article
Times cited : (43)

References (111)
  • 1
    • 85037481393 scopus 로고    scopus 로고
    • note
    • Throughout this paper, ET refers to a complete transfer of the electron and CT refers to a partial transfer of the electronic density. This distinction should, of course, be understood only in qualitative terms to help in distinguishing between the two limits of a continuous transition between the localized and delocalized regimes.
  • 8
    • 0000955320 scopus 로고
    • This paper contains a mistake in the definition of Az
    • (f) Marcus, R. A. J. Phys. Chem. 1992,96, 1753. (This paper contains a mistake in the definition of Az.)
    • (1992) J. Phys. Chem. , vol.96 , pp. 1753
    • Marcus, R.A.1
  • 18
    • 0003907064 scopus 로고
    • Lim, E. C., Ed.; Academic Press
    • Liptay, W. In Excited States; Lim, E. C., Ed.; Academic Press: 1974; Vol. 1.
    • (1974) Excited States , vol.1
    • Liptay, W.1
  • 23
    • 0032577009 scopus 로고    scopus 로고
    • 8 The dielectric approximation for the correction factor may, however, fail for a number of reasons (see, e.g., Bublitz, G. U.; Boxer, S. G. J. Am. Chem. Soc. 1998, 720, 3988).
    • (1998) J. Am. Chem. Soc. , vol.720 , pp. 3988
    • Bublitz, G.U.1    Boxer, S.G.2
  • 29
    • 85037455105 scopus 로고    scopus 로고
    • d « 1 is given in ref 4. In this limit, Δe = Δz.
    • d « 1 is given in ref 4. In this limit, Δe = Δz.
  • 56
    • 0001330739 scopus 로고
    • v. The renormalization of the response functions by the exclusion of the solute volume can be accomplished within Chandler's Gaussian model.
    • (1993) Phys. Rev. E , vol.48 , pp. 2898
    • Chandler, D.1
  • 58
    • 85037455704 scopus 로고    scopus 로고
    • 20b,c that is close to unity for usual conditions of ET.
    • 20b,c that is close to unity for usual conditions of ET.
  • 59
    • 85037474093 scopus 로고    scopus 로고
    • 12.
    • 12.
  • 60
    • 84961983439 scopus 로고
    • A similar definition of the invariant reorganization energy involving the transformation-invariant bilinear scalar product of the electronic density matrix of the solute with the inertial response function of the solvent is given in Basilevsky, M. V.; Chudinov, G. E.; Newton, M. D. Chem. Phys. 1994, 179, 263.
    • (1994) Chem. Phys. , vol.179 , pp. 263
    • Chudinov, G.E.1    Newton, M.D.2
  • 61
    • 85037473830 scopus 로고    scopus 로고
    • The two adiabatic states do not mix if the non-Condon term is relaxed. Electronic transitions are then induced by the nuclear kinetic energy operator neglected in the Born-Oppenheimer approximation.
    • The two adiabatic states do not mix if the non-Condon term is relaxed. Electronic transitions are then induced by the nuclear kinetic energy operator neglected in the Born-Oppenheimer approximation.
  • 62
    • 85037482029 scopus 로고    scopus 로고
    • note
    • GMH > 0 and ΔE > 0 in the GMH and adiabatic representations.
  • 63
    • 85037447815 scopus 로고    scopus 로고
    • GMH| and a decrease in Δe.
    • GMH| and a decrease in Δe.
  • 68
    • 85037489063 scopus 로고    scopus 로고
    • note
    • 2〉.
  • 88
    • 8144224964 scopus 로고
    • Sykes, A. G., Ed.; Academic Press: San Diego
    • (b) Crutchley, R. J. In Advances in Inorganic Chemistry; Sykes, A. G., Ed.; Academic Press: San Diego, 1994; Vol. 41.
    • (1994) Advances in Inorganic Chemistry , vol.41
    • Crutchley, R.J.1
  • 97
    • 85037464686 scopus 로고    scopus 로고
    • max instead of inn in eq 101 considerably underestimates the distance rcr.
    • max instead of inn in eq 101 considerably underestimates the distance rcr.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.