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Volumn 72, Issue 11, 2007, Pages 4039-4047

Ionization and tautomerization of 2-nitrocyclohexanone in aqueous solution

Author keywords

[No Author keywords available]

Indexed keywords

ALICYCLIC KETONES; NONPERFECT SYNCHRONIZATION; SODIUM HYDROXIDE; TAUTOMERIZATION;

EID: 34249818809     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0700629     Document Type: Article
Times cited : (20)

References (43)
  • 1
    • 0004123611 scopus 로고
    • Rappoport, Z, Ed, Wiley & Sons: New York
    • Keefe, J. R.; Kresge, A. J. In The Chemistry of Enols; Rappoport, Z., Ed.; Wiley & Sons: New York, 1990; pp 399-480.
    • (1990) The Chemistry of Enols , pp. 399-480
    • Keefe, J.R.1    Kresge, A.J.2
  • 2
    • 0004123611 scopus 로고
    • Rappoport, Z, Ed, Wiley & Sons: New York
    • Toullec, J. In The Chemistry of Enols; Rappoport, Z., Ed.; Wiley & Sons: New York, 1990; pp 323-398.
    • (1990) The Chemistry of Enols , pp. 323-398
    • Toullec, J.1
  • 20
    • 34249790036 scopus 로고    scopus 로고
    • Conformational searches were carried out by Batchmin and Macromodel version 4.5 (Columbia University, NY) using the following options: MM2* force field, Monte Carlo stochastic algorithm with 3000 generated structures, minimization by PR conjugate gradient. All of the rotatable bonds were explored. The aqueous solvation energies by the SM5,4 model and all of the semiempirical calculations were performed by using the computer program SPARTAN '02, Wavefunction Inc, 18401 Von Karman Avenue, Suite 370 Irvine, CA 92612
    • Conformational searches were carried out by Batchmin and Macromodel version 4.5 (Columbia University, NY) using the following options: MM2* force field, Monte Carlo stochastic algorithm with 3000 generated structures, minimization by PR conjugate gradient. All of the rotatable bonds were explored. The aqueous solvation energies by the SM5,4 model and all of the semiempirical calculations were performed by using the computer program SPARTAN '02, Wavefunction Inc., 18401 Von Karman Avenue, Suite 370 Irvine, CA 92612.
  • 22
    • 0004258726 scopus 로고
    • 2nd ed.;Cornell University Press: Ithaca, NY, Chapter 10
    • (a) Bell, R. P. In The Proton in Chemistry, 2nd ed.;Cornell University Press: Ithaca, NY, 1973; Chapter 10.
    • (1973) The Proton in Chemistry
    • Bell, R.P.1
  • 40
    • 37049116390 scopus 로고    scopus 로고
    • However, it should be recalled that the anomalous α value for the ionization reaction of arylnitroalkanes has been alternatively attributed by Cox to a solvent effect: Cox, B. G.; Gibson, A. J. Chem. Soc., Chem. Commun. 1974, 638-639.
    • However, it should be recalled that the anomalous α value for the ionization reaction of arylnitroalkanes has been alternatively attributed by Cox to a solvent effect: Cox, B. G.; Gibson, A. J. Chem. Soc., Chem. Commun. 1974, 638-639.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.