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Neat Liquid Consisting of Hydrogen-Bonded Tetramers: Dicyclohexylmethanol

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Department of Chemistry, Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan
* To whom correspondence should be addressed. E-mail: [email protected]
†Present address: National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan.
Cite this: J. Phys. Chem. B 2009, 113, 30, 10077–10080
Publication Date (Web):July 6, 2009
https://doi.org/10.1021/jp9048764
Copyright © 2009 American Chemical Society
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Abstract

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Nonmonotonous temperature dependence was detected in the heat capacity and dielectric constant of the title compound in the liquid state. A coherent analysis of FT-IR spectra, heat capacity, and dielectric constants shows that the neat liquid at low temperatures consists of closed (square) tetramers via H-bonds.

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Cartesian coordinates of all atoms in optimized monomer, dimer, closed trimer, and closed tetramer. This material is available free of charge via the Internet at http://pubs.acs.org.

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This article is cited by 16 publications.

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  10. Paulo B.P. Serra, Květoslav Růžička, Michal Fulem, Ondřej Vlk, Ivan Krakovský. Calorimetric and FTIR study of selected aliphatic heptanols. Fluid Phase Equilibria 2016, 423 , 43-54. https://doi.org/10.1016/j.fluid.2016.04.003
  11. Vojtěch Štejfa, Michal Fulem, Květoslav Růžička, Pavel Matějka. Vapor pressures and thermophysical properties of selected hexenols and recommended vapor pressure for hexan-1-ol. Fluid Phase Equilibria 2015, 402 , 18-29. https://doi.org/10.1016/j.fluid.2015.05.026
  12. Christian Wohlfarth. Static dielectric constant of dicyclohexylmethanol. 2015,,, 210-210. https://doi.org/10.1007/978-3-662-48168-4_209
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  15. E. Juszyńska-Gałązka, P.M. Zieliński, M. Massalska-Arodź, J. Krawczyk. Solid State Polymorphism and Dynamics οf 2,2-Dimethylbutan-1-ol as Studied by Adiabatic Calorimetry and Dielectric Spectroscopy. Acta Physica Polonica A 2013, 124 (6) , 917-925. https://doi.org/10.12693/APhysPolA.124.917
  16. Shigenori Nagatomo, Megumi Nobuhira, Yasuhisa Yamamura, Masato Sumita, Kazuya Saito. Identification of Hydrogen-Bonded Oligomers in Associating Liquid by 1 H NMR: 1-Phenyl-1-cyclohexanol. Bulletin of the Chemical Society of Japan 2013, 86 (5) , 569-576. https://doi.org/10.1246/bcsj.20120322

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