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Volumn 129, Issue 32, 2007, Pages 9953-9963

Adiabatic and non-adiabatic concerted proton-electron transfers. Temperature effects in the oxidation of intramolecularly hydrogen-bonded phenols

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROCHEMISTRY; HYDROGEN BONDS; OXIDATION; PHENOLS; PROTONS; THERMAL EFFECTS;

EID: 34547908126     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja071150d     Document Type: Article
Times cited : (92)

References (82)
  • 40
    • 34547899687 scopus 로고    scopus 로고
    • Hammes-Schiffer, S. Proton-coupled electron transfer. In Electron Transfer in Chemistry I: Principles, Theories, Methods, and Techniques; Balzani, V., Ed.; Wiley-VCH: Weinheim, Germany, 2001.
    • (d) Hammes-Schiffer, S. Proton-coupled electron transfer. In Electron Transfer in Chemistry Vol. I: Principles, Theories, Methods, and Techniques; Balzani, V., Ed.; Wiley-VCH: Weinheim, Germany, 2001.
  • 48
    • 34547864373 scopus 로고    scopus 로고
    • Hammes-Schiffer, S. Proton-coupled electron transfer reactions: Theoretical formulation and applications. In Handbook of Hydrogen Transfer. 1: Physical and Chemical Aspects of Hydrogen Transfer; Hynes, J., Limbach, H.-H., Eds.; Wiley-VCH: Weinheim, 2006.
    • (l) Hammes-Schiffer, S. Proton-coupled electron transfer reactions: Theoretical formulation and applications. In Handbook of Hydrogen Transfer. Vol. 1: Physical and Chemical Aspects of Hydrogen Transfer; Hynes, J., Limbach, H.-H., Eds.; Wiley-VCH: Weinheim, 2006.
  • 54
    • 34547918448 scopus 로고    scopus 로고
    • The waves are not perfectly reversible at the highest temperatures because of a slight instability of the cation radical toward deprotonation, as already noted from the effect of scan rate.8a
    • 8a
  • 56
    • 0037434620 scopus 로고    scopus 로고
    • Using the DigiElch software; see: Rudolph, M. J. Electroanal. Chem. 2003, 543, 23
    • Using the DigiElch software; see: Rudolph, M. J. Electroanal. Chem. 2003, 543, 23.
  • 57
    • 0003030312 scopus 로고
    • State of the Theory of Oxidation-Reduction in Solution (Bulk and Electrode Reactions)
    • Delahay, P, Tobias C. W, Eds, Wiley: New York
    • (a) Levich, V. G. Present State of the Theory of Oxidation-Reduction in Solution (Bulk and Electrode Reactions). In Advances in Electrochemistry and Electrochemical Engineering; Delahay, P., Tobias C. W., Eds.; Wiley: New York, 1955; pp 250-371.
    • (1955) Advances in Electrochemistry and Electrochemical Engineering , pp. 250-371
    • Levich, V.1    Present, G.2
  • 59
    • 34547923318 scopus 로고    scopus 로고
    • Reference 17, pp 39, 40, 368-370
    • (c) Reference 17, pp 39, 40, 368-370.
  • 64
    • 0003998388 scopus 로고    scopus 로고
    • 81st ed, CRC Press: Boca Raton, FL
    • Handbook of Chemistry and Physics, 81st ed.; CRC Press: Boca Raton, FL, 2000; pp 9-10.
    • (2000) Handbook of Chemistry and Physics , pp. 9-10
  • 65
    • 34547904406 scopus 로고    scopus 로고
    • Since the three atoms O, H, and N are not collinear, the Q coordinate is not the actual O-N distance but the sum of O-H and H-N distances that is approximatively constant upon proton displacement (see quantum mechanical calculation section).
    • Since the three atoms O, H, and N are not collinear, the Q coordinate is not the actual O-N distance but the sum of O-H and H-N distances that is approximatively constant upon proton displacement (see quantum mechanical calculation section).
  • 67
    • 34547879396 scopus 로고    scopus 로고
    • 0 from Figure 10.
    • 0 from Figure 10.
  • 68
    • 34547881244 scopus 로고    scopus 로고
    • The d value (d is the sum of the molecular reactant equivalent radii), 9 Å, is in agreement with the radius calculated value, 4.78 Å.
    • The d value (d is the sum of the molecular reactant equivalent radii), 9 Å, is in agreement with the radius calculated value, 4.78 Å.
  • 75
    • 34547863999 scopus 로고    scopus 로고
    • See Figure 3 in ref 31b.
    • (a) See Figure 3 in ref 31b.
  • 77
    • 34547875521 scopus 로고    scopus 로고
    • The values of the global reorganization energy and of the degree of adiabaticity reported in refs 5 should be treated with caution since the variation of the driving force with temperature was not taken into account in the treatment of the Arrhenius plots.
    • The values of the global reorganization energy and of the degree of adiabaticity reported in refs 5 should be treated with caution since the variation of the driving force with temperature was not taken into account in the treatment of the Arrhenius plots.
  • 81
    • 34547873292 scopus 로고    scopus 로고
    • Frisch, M. J.; et al. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998.
    • Frisch, M. J.; et al. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998.
  • 82
    • 34547865857 scopus 로고    scopus 로고
    • This keyword, available in Gaussian 98, requests that the molecular be computed, defined as the inside a contour of 0.001 electrons/bohr3 density
    • 3 density.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.