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Volumn 120, Issue 16, 2004, Pages 7532-7556

Solvent reorganization energy of electron-transfer reactions in polar solvents

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSFER; IONIC SOLVATION; TRANSVERSE POLARIZATION MODES;

EID: 2342578768     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1676122     Document Type: Article
Times cited : (106)

References (128)
  • 3
  • 82
    • 2342594918 scopus 로고    scopus 로고
    • note
    • The solvent reorganization energy is defined as the equilibrium free energy of solvation of the ET dipole. The approach used here can be applied to a DAC with an arbitrary charge as long as the solute charge does not change the spectrum of fluctuations of the solvent (LRA).
  • 87
    • 2342480228 scopus 로고    scopus 로고
    • note
    • The charges of the solute interact only with optical phonons changing the local charge distribution in the solvent. Therefore thermal excitations, leading to a parallel tilt of the dipoles, can be neglected.
  • 94
    • 0040727620 scopus 로고    scopus 로고
    • edited by J. Jortner and M. Bixon Wiley, New York
    • B. Bagchi and N. Gayathri, in Advances in Chemical Physics, edited by J. Jortner and M. Bixon (Wiley, New York, 1999), Vol. 107, p. 1.
    • (1999) Advances in Chemical Physics , vol.107 , pp. 1
    • Bagchi, B.1    Gayathri, N.2
  • 99
    • 2342513888 scopus 로고    scopus 로고
    • note
    • δ at δ≤3 (long-range potential) and is finite at δ>3 (short-range potential).
  • 117
    • 2342448963 scopus 로고    scopus 로고
    • note
    • L+2A =0. This pole is responsible for longitudinal polarization waves generated in a polar solvent by the insertion of the solute. However, this singularity gives a negligible contribution to the integral and is not considered here.
  • 122
    • 2342529478 scopus 로고    scopus 로고
    • note
    • The effective HS diameter of DMSO calculated by fitting the solvent compressibility to that given by the generalized van der Waals equation is 4.95 Å. The compressibility of the ISM fluid used to represent DMSO may be, however, different from the compressibility of the real solvent.
  • 124
    • 2342646567 scopus 로고    scopus 로고
    • note
    • ∝ in which is as strong as in the Marcus formula.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.