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Volumn 106, Issue 18, 2002, Pages 4784-4793

Electron transfer reactions of C-shaped molecules in alkylated aromatic solvents: Evidence that the effective electronic coupling magnitude is temperature-dependent

Author keywords

[No Author keywords available]

Indexed keywords

ALKYLATED AROMATIC SOLVENTS; CHARGE RECOMBINATION RATE CONSTANTS; CHARGE SEPARATION RATE CONSTANTS; DIISOPROPYLBENZENE; DONOR BRIDGE ACCEPTOR MOLECULE; ELECTRON TRANSFER REACTIONS; ELECTRONIC COUPLING; REACTION FREE ENERGY;

EID: 0037046718     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0204455     Document Type: Article
Times cited : (18)

References (83)
  • 25
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    • note
    • (d) Intermolecular electron-transfer reactions are influenced by the dependence of electronic coupling on donor-acceptor separation and the nature of the intervening medium. See ref 5f.
  • 26
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    • note
    • CS) of Table 1 for 1 in ref 5e.
  • 32
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    • The following citation describes the pressure dependence of electronic orbital overlap in hydrogen bonds:
    • The following citation describes the pressure dependence of electronic orbital overlap in hydrogen bonds: Li, H.; Yamada, H.; Akasaka, K.i; Gronenborn, A. M. J. Biomol. NMR 2000, 18, 207.
    • (2000) J. Biomol. NMR , vol.18 , pp. 207
    • Li, H.1    Yamada, H.2    Akasaka, K.I.3    Gronenborn, A.M.4
  • 35
    • 0011201038 scopus 로고    scopus 로고
    • note
    • rec, comprises two distinct electron-transfer processes; conversion of the CT state to the molecule's ground singlet state and to the molecule's lowest energy triplet state. This is of no consequence to the current investigation.
  • 37
    • 0011243444 scopus 로고    scopus 로고
    • Ph.D. Thesis, Brown University, Providence, RI
    • Kaplan, R. Ph.D. Thesis, Brown University, Providence, RI, 2001.
    • (2001)
    • Kaplan, R.1
  • 40
    • 0011204470 scopus 로고    scopus 로고
    • note
    • f.
  • 41
    • 0011193601 scopus 로고    scopus 로고
    • note
    • -1. The temperature is in units of K.
  • 50
    • 0029940149 scopus 로고    scopus 로고
    • S with decreasing temperature for bacterial reaction centers is presented in
    • S with decreasing temperature for bacterial reaction centers is presented in Ortega, J. M.; Mathis, P.; Williams, J. C.; Allen, J. P. Biochemistry 1996, 35, 3354.
    • (1996) Biochemistry , vol.35 , pp. 3354
    • Ortega, J.M.1    Mathis, P.2    Williams, J.C.3    Allen, J.P.4
  • 52
    • 0011161248 scopus 로고    scopus 로고
    • note
    • The only other fitting parameter in these analyses was |V|, which was assume to be temperature-independent.
  • 53
    • 0011243446 scopus 로고    scopus 로고
    • note
    • S(T) plots are evident.
  • 54
    • 0011160011 scopus 로고    scopus 로고
    • note
    • The predicted values in column 3 of Table 1 are larger than previously reported in ref 10. A numerical error in a subroutine was responsible. The results of the corrected code have been checked with code kindly provided by Professor Matyushov.
  • 55
    • 0011164555 scopus 로고    scopus 로고
    • note
    • -1.
  • 56
    • 0011244114 scopus 로고    scopus 로고
    • note
    • Compound 2 in the current manuscript is the same as compound 8 in reference 18a.
  • 57
    • 0011160344 scopus 로고    scopus 로고
    • note
    • 26b After correcting for the frequency dependence of the transition moment, the Franck-Condon line shape remains. The energy of corresponding to the maximum of this line shape is reported in the text.
  • 59
    • 0011201039 scopus 로고    scopus 로고
    • note
    • S obtained by fitting the CT emission line shape.
  • 60
    • 0011159905 scopus 로고    scopus 로고
    • note
    • 1 → CT).
  • 61
    • 0011196068 scopus 로고    scopus 로고
    • note
    • 1 → CT) values presented for 1 and 2.
  • 62
    • 0011243447 scopus 로고    scopus 로고
    • note
    • 26c
  • 64
    • 0011161725 scopus 로고    scopus 로고
    • note
    • S. This demonstrates that electronic coupling magnitudes extracted from rate constant data in the Marcus normal region depend weakly on the model used to simulate the vibrational Franck-Condon factors. For further discussion of the influence of zero, and multi quantum mode models on Franck-Condon factors and extracted values of the electronic coupling, see refs 18b and 32d.
  • 69
    • 0011224918 scopus 로고    scopus 로고
    • note
    • S, the agreement between the molecular model predictio and the experimental results (Table 1) is fortuitous and suggests that the parametrization of the molecular model overestimates the extra-cavity solvation of 1.
  • 73
    • 0011229109 scopus 로고    scopus 로고
    • note
    • The finite-difference Poisson-Boltzman calculations indicate that exclusion of the solvent from the cleft of 1 reduces the solvent reorganization energy by less than 10%. See ref 18b.
  • 74
    • 0011164052 scopus 로고    scopus 로고
    • note
    • The value of |V(295 K)| provided for 1,3,5-tri-isopropylbenzene is a linear extrapolation of the results obtained at lower temperatures.
  • 75
    • 0011224919 scopus 로고    scopus 로고
    • note
    • -A, has the "transferring" electron localized on the aromatic ring.
  • 76
    • 0011164164 scopus 로고    scopus 로고
    • note
    • 38b between the anthracene, and the alkene diester generate a negative enthalpy change for sol entry. Solvent "complexation" with 1 results in a reduction of translational entropy relative to two, independently diffusing molecules.
  • 78
    • 0011224920 scopus 로고    scopus 로고
    • note
    • According to the best fit analysis, approximately 10% of the charge recombination products are formed with one quantum of vibrational energy when temperature reaches 360 K.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.