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Volumn 133, Issue 43, 2011, Pages 17341-17352

Kinetic effects of increased proton transfer distance on proton-coupled oxidations of phenol-amines

Author keywords

[No Author keywords available]

Indexed keywords

AMINO-PHENOLS; ANHARMONIC; COMPUTATIONAL ANALYSIS; COMPUTATIONAL STUDIES; DFT CALCULATION; DONOR-ACCEPTOR DISTANCE; DRIVING FORCES; HYDROGEN BONDED SYSTEMS; KINETIC EFFECT; KINETIC ISOTOPE EFFECTS; KINETIC MODELS; KINETIC STUDY; ORDERS OF MAGNITUDE; PROTON-COUPLED ELECTRON TRANSFER; RADICAL CATIONS; TRANSFER REACTION; TUNNELING MODELS; VIBRATIONAL EXCITED STATE;

EID: 80054993941     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja2056853     Document Type: Article
Times cited : (83)

References (96)
  • 2
    • 79953756133 scopus 로고    scopus 로고
    • (Introduction to a special issue of Chem. Rev. on PCET).
    • Hammes-Schiffer, S. Chem. Rev. 2010, 110, 6937-6938 (Introduction to a special issue of Chem. Rev. on PCET).
    • (2010) Chem. Rev. , vol.110 , pp. 6937-6938
    • Hammes-Schiffer, S.1
  • 3
    • 84891341912 scopus 로고    scopus 로고
    • In; Hynes, J. T. Klinman, J. P. Limbach, H.-H. Schowen, R. L. Wiley-VCH: Weinheim
    • Hodgkiss, J. M.; Rosenthal, J.; Nocera, D. G. In Hydrogen-Transfer Reactions; Hynes, J. T.; Klinman, J. P.; Limbach, H.-H.; Schowen, R. L., Eds.; Wiley-VCH: Weinheim, 2006; pp 503-562.
    • (2006) Hydrogen-Transfer Reactions , pp. 503-562
    • Hodgkiss, J.M.1    Rosenthal, J.2    Nocera, D.G.3
  • 16
    • 84891303913 scopus 로고    scopus 로고
    • In; Hynes, J. T. Klinman, J. P. Limbach, H. H. Schowen, R. L. Wiley-VCH: Weinheim
    • Hammes-Schiffer, S. In Hydrogen-Transfer Reactions; Hynes, J. T.; Klinman, J. P.; Limbach, H. H.; Schowen, R. L., Eds.; Wiley-VCH: Weinheim, 2007; pp 479-503.
    • (2007) Hydrogen-Transfer Reactions , pp. 479-503
    • Hammes-Schiffer, S.1
  • 60
  • 62
    • 84857503000 scopus 로고    scopus 로고
    • ON is varied by insertion of a methylene unit between phenol and base (i.e. refs 22 and 23).
    • ON is varied by insertion of a methylene unit between phenol and base (i.e., refs 22 and 23).
  • 68
    • 0004258726 scopus 로고
    • 2 nd; Cornell University Press: Ithaca, NY
    • Bell, R. P. The Proton in Chemistry, 2 nd Ed.; Cornell University Press: Ithaca, NY, 1973; pp 226-249.
    • (1973) The Proton in Chemistry , pp. 226-249
    • Bell, R.P.1
  • 76
    • 80054999901 scopus 로고    scopus 로고
    • Markle., T. F.; Tenderholt, A. L.; Mayer, J. M. submitted
    • Markle., T. F.; Tenderholt, A. L.; Mayer, J. M. submitted.
  • 77
    • 80054995180 scopus 로고    scopus 로고
    • Ref 35b, Chapter 4.
    • Ref 35b, Chapter 4.
  • 78
    • 80055024444 scopus 로고    scopus 로고
    • As described in these reports, the proton potential energy surfaces are highly anharmonic and vary substantially between different classes of molecules and with proton donor-acceptor distance, suggesting that the vibrational coupling terms will not simply follow a exponential dependence.
    • As described in these reports, the proton potential energy surfaces are highly anharmonic and vary substantially between different classes of molecules and with proton donor-acceptor distance, suggesting that the vibrational coupling terms will not simply follow a exponential dependence.
  • 82
    • 3042520570 scopus 로고
    • references therein.
    • Jencks, W. P. Chem. Rev. 1985, 85, 511-527, and references therein.
    • (1985) Chem. Rev. , vol.85 , pp. 511-527
    • Jencks, W.P.1
  • 83
    • 33947264875 scopus 로고    scopus 로고
    • In; Hynes, J. T. Klinman, J. P. Limbach, H.-H. Schowen, R. L. Wiley-VCH: Weinheim
    • Williams, I. H. In Hydrogen-Transfer Reactions; Hynes, J. T.; Klinman, J. P.; Limbach, H.-H.; Schowen, R. L., Eds.; Wiley-VCH: Weinheim, 2006; pp 583-602.
    • (2006) Hydrogen-Transfer Reactions , pp. 583-602
    • Williams, I.H.1
  • 90
    • 0038626673 scopus 로고    scopus 로고
    • Revision D.02, Gaussian, Inc. Wallingford, CT, For complete citation see Supporting Information.
    • Frisch, M. J.; Gaussian 03, Revision D.02, Gaussian, Inc.: Wallingford, CT, 2004. For complete citation see Supporting Information.
    • (2004) Gaussian 03
    • Frisch, M.J.1
  • 91
    • 80054966181 scopus 로고    scopus 로고
    • Using code generously provided by Heatwole, E.; Arnaldsson, A.; Prezhdo, O., unpublished work
    • Using code generously provided by Heatwole, E.; Arnaldsson, A.; Prezhdo, O., unpublished work.
  • 93
    • 0004164735 scopus 로고    scopus 로고
    • version 3.0.36 (32-bit Windows); Spectrum Software Associates: Chapel Hill, NC.
    • Binstead, R. A.; Zuberbühler, A. D.; Jung, B. Specfit, version 3.0.36 (32-bit Windows); Spectrum Software Associates: Chapel Hill, NC, 2004.
    • (2004) Specfit
    • Binstead, R.A.1    Zuberbühler, A.D.2    Jung, B.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.