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Hydrogen bonding of 2,4-pentanediol and related molecules studied by infrared and 1H-NMR spectroscopy

1986; Pergamon Press; Volume: 42; Issue: 2-3 Linguagem: Inglês

10.1016/0584-8539(86)80187-8

1873-3824

Yoshihiko Nakao, Hiromu Sugeta, Yoshimasa Kyōgoku,

Surfactants and Colloidal Systems

Intermolecular self-associations of 2,4-pentanediol, 2-methyl-2,4-pentanediol and 1,3-butanediol in carbon tetrachloride solution have been studied by i.r. and 1H-NMR spectroscopy. The spectrophotometric data have been analyzed by the least squares method to obtain the association constants and thermodynamic parameters. It turned out that 2,4-pentanediol, 2-methyl-2,4-pentanediol and 1,3-butanediol all take a cyclic trimer structure through hydrogen bonding. The association constants for trimerization were obtained as 330 and 810 mol−2 dm6 at 30°C, and the enthalpy changes were −34 and −38 kJ mol−1 and entropy changes were −62 and −68 J K−1 mol−1, for 2,4-pentanediol and 2-methyl-2,4-pentanediol, respectively.