Evaluation of Novel Local Structural Parameters of Acids and Bases for 1 : 1 Hydrogen-Bond Complexation. II. <i>p</i>-Fluorophenol, 5-Fluoroindole and Various Bases in Carbon Tetrachloride

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  • Shozi Mishima
    Department of Chemistry and Material Engineering, Faculty of Engineering, Shinshu UniversityWakasato 4-17-1, Nagano 380-8533
  • Tsuyoshi Nakajima
    Department of Chemistry and Material Engineering, Faculty of Engineering, Shinshu UniversityWakasato 4-17-1, Nagano 380-8533
  • Nobuaki Tanaka
    Department of Environmental Science and Technology, Faculty of Engineering, Shinshu UniversityWakasato 4-17-1, Nagano 380-8533

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<jats:title>Abstract</jats:title> <jats:p>For 1 : 1 hydrogen-bond complexation in CCl4, novel local structural parameters, η° and ω°, representing the nature of the functional group and the residual moiety (supporting group) of acids and bases have been evaluated for two acids and 26 bases. An evaluation of the η° and ω° was carried out by using convergent linear relationships observed among the log K values of the bases against each couple of reference acids. The values of log K experimentally obtained were reproduced from the η°and ω° values within ±0.21 in the log K unit, excluding three exceptions. Family-independent linear relationships were observed between ω°b and the solute hydrogen bond basicity (β2H), and between ω°a and the solute hydrogen bond acidity (α2H) of the bases and acids. Linear relationships could be applied to estimate the ω°a and ω°b values from α2H and β2H values existing in the literature.</jats:p>

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