Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid met

阅读量:

28

作者:

T KimuraMA KhanM IshiiK UedaT MatsushitaT KamiyamaM Fujisawa

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摘要:

Enthalpies of mixing of ( R)- and ( S)-enantomers of liquid chiral compounds such as benzyl-(1-phenyl-ethyl)-amine ( 1), 1-phenylethylamine ( 2), 1-phenyl-ethanol ( 3), butyric acid oxiranylmethyl ester ( 4), 4-methyl-[1,3]dioxolan-2-one ( 5), 2-Chloromethyloxirane ( 6) and 3-hydroxyisobutyric acid methyl ester ( 7) have been measured over the whole range of mole fractions at 298.15 K, albeit very small values. Mixing of heterochiral liquids of R- 1 + S- 1, R- 5 + S- 5, and R- 7 + S- 7 realized enthalpic stabilization over the whole range of mole fractions, whereas that of R- 2 + S- 2, R- 3 + S- 3, R- 4 + S- 4, and R- 6 + S- 6 realized enthalpic destabilization over entire compositions. The extreme values of enthalpies of mixing and the intermolecular interaction obtained by the molecular mechanics calculations showed a linear correlation, except few the compounds measured.

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DOI:

10.1016/j.jct.2005.10.019

被引量:

32

年份:

2006

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2006
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