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Volumn 125, Issue 9, 2003, Pages 2797-2803

Origin of the acidity enhancement of formic acid over methanol: Resonance versus inductive effects

Author keywords

[No Author keywords available]

Indexed keywords

GAS-PHASE ACIDITY;

EID: 0037420361     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja020803h     Document Type: Article
Times cited : (25)

References (37)
  • 1
    • 0003464216 scopus 로고    scopus 로고
    • Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD
    • Bartmess, J. E. In NIST Chemistry WebBook, NIST Standard Reference Database 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 1998.
    • (1998) NIST Chemistry WebBook, NIST Standard Reference Database 69
    • Bartmess, J.E.1
  • 26
    • 37049076463 scopus 로고
    • Thomas (Thomas, T. D. J. Chem. Soc., Perkin Trans, 2 1994, 9, 1945-1948) also points out that the results obtained by Dewar and Krull do not provide insight into the question of whether the enhanced acidity of formic acid over methanol is due to stabilization of the anion or an increased potential energy at the proton in the acid.
    • (1994) J. Chem. Soc., Perkin Trans, 2 , vol.9 , pp. 1945-1948
    • Thomas, T.D.1
  • 33
    • 22244435668 scopus 로고    scopus 로고
    • Merrill and Kass (Merrill, G. N.; Kass, S. R. J. Phys. Chem. 1996, 100, 17465-17471) were the first to show agreement beween the DFT calculated (BLYP) and the experimental values of acidity for both methanol and formic acid. Our B3LYP values are in excellent agreement with their BLYP values.
    • (1996) J. Phys. Chem. , vol.100 , pp. 17465-17471
    • Merrill, G.N.1    Kass, S.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.