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Volumn 105, Issue 32, 2001, Pages 7751-7758

Multidimensional electron transfer pathways in a tetrahedral tetrakis{4-[N,N-di(4-methoxyphenyl)amino]phenyl}phosphonium salt: One-step vs two-step mechanism

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; INFRARED SPECTROSCOPY; REDOX REACTIONS; SALTS; ULTRAVIOLET SPECTROSCOPY;

EID: 0035899755     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp004515o     Document Type: Article
Times cited : (37)

References (90)
  • 2
    • 0345330736 scopus 로고
    • (b) Chem. Rev. 1992, 92, 2, 369. This issue is devoted to ET processes in biologically relevant systems.
    • (1992) Chem. Rev. , vol.92 , pp. 2
  • 42
    • 33751007309 scopus 로고    scopus 로고
    • S. Nelsen applied the adequate theory for investigating a one-dimensional ET process where a bridge state is involved: see ref 4n
    • S. Nelsen applied the adequate theory for investigating a one-dimensional ET process where a bridge state is involved: see ref 4n.
  • 61
    • 0011640908 scopus 로고    scopus 로고
    • note
    • We used Maple V release 5 for solving the secular equations.
  • 62
    • 0011579572 scopus 로고    scopus 로고
    • note
    • For simplicity, we used quadratic potentials although it is well-known by the work of S. Nelsen that in some cases quartic augmented functions allow better simulation of the observed IV-CT spectra; see ref 41.
  • 63
    • 0011640909 scopus 로고    scopus 로고
    • note
    • In the borderline case of infinitely small coupling the minima of the adiabatic and the diabatic functions coincide. With increasing coupling, the minima of the diabatic hypersurface move towards each other. We refrained from a numeric search for the true minimum positions as this is quite laborious and these points will not deviate much from the one of the diabatic functions as can be seen from Figures 2 and 4.
  • 69
    • 0011577486 scopus 로고    scopus 로고
    • note
    • Bonvoisin et al. employed a more accurate band deconvolution which does not imply the same band shape and band maxima for differently charged species, see refs 5c and d. In our case, the bad signal-to-noise ratio as well as the fact that the IV-CT band strongly overlaps with a much stronger radical band prohibits this type of deconvolution. However, for weakly coupled species one can safely assume that the band shapes and maxima differ only marginally between differently charged species.
  • 70
    • 0011693695 scopus 로고    scopus 로고
    • note
    • For a short discussion of the use of the N-N separation as the effective ET distance, see ref 4q.
  • 86
    • 33750996459 scopus 로고    scopus 로고
    • private communication
    • Prof. S. Nelsen (private communication) also observed that AM1 calculations underestimate the coupling for saturated-bridge systems.
    • Nelsen, S.1
  • 90
    • 0011698536 scopus 로고    scopus 로고
    • Fujitsu Inc.
    • Mopac97, Fujitsu Inc. 1997.
    • (1997) Mopac97


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.