메뉴 건너뛰기




Volumn 107, Issue 19, 2003, Pages 3970-3980

Charge hopping in molecular wires as a sequence of electron-transfer reactions

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CALCULATIONS; CHARGE TRANSFER; ELECTRON MOBILITY; ELECTRON TRANSPORT PROPERTIES; HOLE MOBILITY; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

EID: 0037714218     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034225i     Document Type: Article
Times cited : (210)

References (166)
  • 10
    • 0003535541 scopus 로고
    • Petty, M. C., Bryce, M. R., Bloor, D., Eds.; Oxford University Press: New York
    • (b) An Introduction to Molecular Electronics; Petty, M. C., Bryce, M. R., Bloor, D., Eds.; Oxford University Press: New York, 1995.
    • (1995) An Introduction to Molecular Electronics
  • 11
    • 0003647734 scopus 로고    scopus 로고
    • Aviram, A., Ratner, M. A., Eds.; New York Academy of Sciences: New York
    • (c) Molecular Electronics: Science and Technology; Aviram, A., Ratner, M. A., Eds.; New York Academy of Sciences: New York, 1998; Vol. 852.
    • (1998) Molecular Electronics: Science and Technology , vol.852
  • 14
    • 0038643045 scopus 로고    scopus 로고
    • Reed, M. A., Ratner, M. A., Eds.; Academic Press: New York; (Journal Special Issue)
    • Superlattices and Microstructures; Reed, M. A., Ratner, M. A., Eds.; Academic Press: New York, 2000; Vol. 28, No. 4, and references therein (Journal Special Issue).
    • (2000) Superlattices and Microstructures , vol.28 , Issue.4
  • 39
    • 0004154179 scopus 로고    scopus 로고
    • Charge transport in self-assembling discotic liquid crystalline materials
    • Ph.D. Thesis, Delft University of Technology, Delft, The Netherlands
    • van de Craats, A. M. Charge Transport in Self-Assembling Discotic Liquid Crystalline Materials. Ph.D. Thesis, Delft University of Technology, Delft, The Netherlands, 2000.
    • (2000)
    • Van De Craats, A.M.1
  • 40
  • 46
    • 0001095860 scopus 로고    scopus 로고
    • Balzani,V., Ed.; Wiley-VCH: Weinheim, Germany
    • Lewis, F. D. In Electron Transfer in Chemistry, Balzani,V., Ed.; Wiley-VCH: Weinheim, Germany, 2001; Vol. 3, pp 105-175.
    • (2001) Electron Transfer in Chemistry , vol.3 , pp. 105-175
    • Lewis, F.D.1
  • 53
    • 0033545293 scopus 로고    scopus 로고
    • (b) Ratner, M. A. Nature 1999, 397, 480.
    • (1999) Nature , vol.397 , pp. 480
    • Ratner, M.A.1
  • 81
    • 0037628586 scopus 로고
    • Bolton, J. R., Mataga, N., McLendon, G., Eds.; Advances in Chemistry Series No. 228; American Chemical Society: Washington, DC
    • (i) Bolton, J. R.; Mataga, N.; McLendon, G. In Electron Transfer in Inorganic, Organic, and Biological Systems; Bolton, J. R., Mataga, N., McLendon, G., Eds.; Advances in Chemistry Series No. 228; American Chemical Society: Washington, DC, 1991; p. 13.
    • (1991) Electron Transfer in Inorganic, Organic, and Biological Systems , pp. 13
    • Bolton, J.R.1    Mataga, N.2    McLendon, G.3
  • 82
    • 0038643040 scopus 로고
    • Bolton, J. R., Mataga, N., McLendon, G., Eds.; Advances in Chemistry Series No. 228; American Chemical Society: Washington, DC
    • (j) Sutin, N. In Electron Transfer in Inorganic, Organic, and Biological Systems; Bolton, J. R., Mataga, N., McLendon, G., Eds.; Advances in Chemistry Series No. 228; American Chemical Society: Washington, DC, 1991; p 27.
    • (1991) Electron Transfer in Inorganic, Organic, and Biological Systems , pp. 27
    • Sutin, N.1
  • 109
    • 0001925836 scopus 로고    scopus 로고
    • Jortner, J., Ratner, M. A., Eds.; Blackwell Science: Oxford, U.K.
    • (a) Newton, M. D.; Cave, R. J. In Molecular Electronics; Jortner, J., Ratner, M. A., Eds.; Blackwell Science: Oxford, U.K., 1997; p 73.
    • (1997) Molecular Electronics , pp. 73
    • Newton, M.D.1    Cave, R.J.2
  • 123
    • 0037628567 scopus 로고
    • Ph.D. Thesis, The University of Chicago, Chicago, IL; note
    • cd, as the reference point. To obtain absolute V values, electron coupling for 1,5-cis-decaline was evaluated from the known coupling for steroid spacer corrected for the distance dependence of solvent reorganization energy by use of an approximate dielectric continuum model. For details, Paulson, B. P. Ph.D. Thesis, The University of Chicago, Chicago, IL, 1993.
    • (1993)
    • Paulson, B.P.1
  • 124
    • 33751015166 scopus 로고    scopus 로고
    • note
    • If necessary, the outer contribution in the value of the reorganization energy can be estimated for different solvents using theory of electron-transfer reactions in solutions. For appropriate theoretical methods, see, e.g.: Raineri, F. O.; Friedman, H. L. Adv. Chem. Phys. 1999, 107, 81.
    • (1999) Adv. Chem. Phys. , vol.107 , pp. 81
    • Raineri, F.O.1    Friedman, H.L.2
  • 129
    • 0035967359 scopus 로고    scopus 로고
    • note
    • Also see: ref 23b. For reorganization of the solid environment during electron tunneling, see: Burin, A. L.; Berlin, Yu. A.; Ratner, M. A. J. Phys. Chem. A 2001, 105, 2652.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 2652
    • Burin, A.L.1    Berlin, Yu.A.2    Ratner, M.A.3
  • 130
    • 0038643022 scopus 로고    scopus 로고
    • note
    • In the more general case, a molecular wire might contain units of ionic nature. Therefore, in the subsequent discussion, we also use the term "primary geometry", which refers to the optimized configuration of the structural unit before extra charges have been added. Accordingly, the terms "reduced geometry" and "oxidized geometry" offer the concise definition of the optimized configurations for units that have gained one additional electron and gained one additional hole, respectively, as a result of charge transfer.
  • 134
    • 0004160492 scopus 로고    scopus 로고
    • Schrödinger, Inc.: Portland, OR
    • (a) Jaguar 4.1; Schrödinger, Inc.: Portland, OR, 2000.
    • (2000) Jaguar 4.1
  • 136
    • 0003871081 scopus 로고
    • note; Wiley: New York
    • (a) Molecular configurations of DMPP-like units with anion side groups require further investigations because of the effect of ion pairing; see, e.g: Szwarc, M. Ions and Ion Pairs in Organic Reactions; Wiley: New York, 1972.
    • (1972) Ions and Ion Pairs in Organic Reactions
    • Szwarc, M.1
  • 138
    • 0038643017 scopus 로고
    • note; Taylor & Francis: New York
    • The presence of adventitious counterions can have several consequences for charge transfer. In particular, these ions can alter the ability of structural units to change their conformations and therefore can affect electron localization/delocalization processes. Counterions are also able to facilitate charge transport along molecular wires with DMPP-like units since ion pairing mitigates the effects of Mott-type coulomb trapping; see: Mott, N. F. The Metal-Isolator Transitions; Taylor & Francis: New York, 1974.
    • (1974) The Metal-Isolator Transitions
    • Mott, N.F.1
  • 157
    • 0001060079 scopus 로고    scopus 로고
    • note
    • Several scenarios proposed by Marcus for the effect of ion pairing on the rate of electron-transfer reactions are of particular importance in the context of the hopping mechanism of charge transport in molecular wires discussed in this work; see: Marcus, R. A. J. Phys. Chem. B 1998, 102, 10071.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 10071
    • Marcus, R.A.1
  • 161
    • 0038643019 scopus 로고    scopus 로고
    • note
    • 2 groups at both ends of the molecular cage, and a positive charge is added to either of these two groups. As a consequence, an "electronic" hole created in the model structure turns out to be located closer to the σ-bonded cage spacer than a hole in a real wire. Because of the latter circumstances, the obtained values of the electron-transfer matrix element can be larger in comparison with V for cages linked to a large π-conjugated unit. More precise calculations of this quantity are currently in progress.
  • 165
    • 0037966825 scopus 로고    scopus 로고
    • note
    • eq value because of the higher degree of conformational disorder.
  • 166
    • 0038643018 scopus 로고    scopus 로고
    • note
    • 2b


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.