4.2 Article

Solvent polarity scales: determination of new ET(30) values for 84 organic solvents

期刊

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
卷 27, 期 6, 页码 512-518

出版社

WILEY-BLACKWELL
DOI: 10.1002/poc.3293

关键词

betaine dyes; linear free energy relationships; solvatochromism; solvent effects

资金

  1. FP7 EU Marie Curie Actions through the Campus Mare Nostrum 37/38 CMN UMU Incoming Mobility Program ACTion (U-IMPACT)
  2. European Research Council (ERC) [Marches-278845]
  3. Region des Pays de la Loire

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The solvent polarity parameter E-T(30) is newly measured from the solvatochromism of the betaine dye 30 for 84 solvents and re-measured for 186 additional ones. The results are organized in a database. It is shown that the validity of linear solvation energy relationships used for the determination of secondary E-T(30) values is limited to non-hydrogen-bond donor solvents. Relationships with the chain length n are given for the determination of tertiary E-T(30) values of the homologous H(CH2)(n)Y solvent series. The parameter E-T(30) is orthogonal to the function of the refractive index (n(2)-1) / (2n(2) + 1). For non hydrogen-bond donor solvents, this allows to enter E-T(30) as an almost pure electrostatic parameter in a new linear solvation energy relationship. Copyright (c) 2014 John Wiley & Sons, Ltd.

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