N-Hexanol association in cyclohexane studied by NMR and NIR spectroscopies

Mario E. Flores, Toshimichi Shibue, Natsuhiko Sugimura, Hiroyuki Nishide, Francisco Martínez, Andrés F. Olea, Ignacio Moreno-Villoslada*


研究成果: Article査読

12 被引用数 (Scopus)


In this work we present a study on the association of n-hexanol in cyclohexane using NMR and NIR spectroscopies. Abrupt changes on spectroscopic responses have been observed at low molar fractions of n-hexanol, which are related to hydrogen bond network formation that includes trace water. Molecular interactions are found to be dominated by dispersion forces, hydrogen bonding, and dipolar interactions, to different extents at different n-hexanol composition ranges. 1D, DOSY, and T1and T2relaxation time analyses by 1H-NMR allow understanding the dynamics of the mixtures. NIR allows verifying the formation of n-hexanol polymeric species. In addition, an n-hexanol/cyclohexane mixture with an alcohol molar fraction of 0.177 has been titrated with water, revealing the formation of a microemulsion containing water droplets that evolves to a bicontinuous microemulsion with increasing water content. Stable boundary water is detected at the microemulsion interface.

ジャーナルJournal of Molecular Liquids
出版ステータスPublished - 2014

ASJC Scopus subject areas

  • 物理化学および理論化学
  • 分光学
  • 凝縮系物理学
  • 原子分子物理学および光学
  • 電子材料、光学材料、および磁性材料
  • 材料化学


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