Hydrogen bonding in a host-guest system: C-undecylcalix[4]resorcinarene and water in benzene

Clyde F. Wilson; Michael P. Eastman; Cynthia J. Hartzell

doi:10.1021/jp971808h

Hydrogen bonding in a host-guest system: C-undecylcalix[4]resorcinarene and water in benzene

Clyde F. Wilson, Michael P. Eastman, Cynthia J. Hartzell

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

The behavior of water in a benzene solution of C-undecylcalix[4]resorcinarene (UR) is studied by ¹H 2D NMR exchange spectroscopy and by 1D NMR. The rate constants for exchange of the UR hydroxyl protons, Ha, with water over the temperature range 298-338 K are 0.7-4.6 s^-1 and those for the exchange of UR hydroxyl protons, H_b, over the temperature range 298-328 K are 1.8-8.1 s^-1. Activation energies calculated for these exchange processes are 9.0 ± 0.5 kcal/mol and 10.2 ± 1.0 kcal/mol, respectively. The chemical shift of dissolved water is largely dependent upon the concentration of UR. An upper limit for the critical aggregation concentration of UR is 10^-5 M as shown by ¹H NMR.

Original language	English (US)
Pages (from-to)	9309-9313
Number of pages	5
Journal	Journal of Physical Chemistry B
Volume	101
Issue number	45
DOIs	https://doi.org/10.1021/jp971808h
State	Published - Nov 6 1997

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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title = "Hydrogen bonding in a host-guest system: C-undecylcalix[4]resorcinarene and water in benzene",

abstract = "The behavior of water in a benzene solution of C-undecylcalix[4]resorcinarene (UR) is studied by 1H 2D NMR exchange spectroscopy and by 1D NMR. The rate constants for exchange of the UR hydroxyl protons, Ha, with water over the temperature range 298-338 K are 0.7-4.6 s-1 and those for the exchange of UR hydroxyl protons, Hb, over the temperature range 298-328 K are 1.8-8.1 s-1. Activation energies calculated for these exchange processes are 9.0 ± 0.5 kcal/mol and 10.2 ± 1.0 kcal/mol, respectively. The chemical shift of dissolved water is largely dependent upon the concentration of UR. An upper limit for the critical aggregation concentration of UR is 10-5 M as shown by 1H NMR.",

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T2 - C-undecylcalix[4]resorcinarene and water in benzene

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AU - Eastman, Michael P.

AU - Hartzell, Cynthia J.

PY - 1997/11/6

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N2 - The behavior of water in a benzene solution of C-undecylcalix[4]resorcinarene (UR) is studied by 1H 2D NMR exchange spectroscopy and by 1D NMR. The rate constants for exchange of the UR hydroxyl protons, Ha, with water over the temperature range 298-338 K are 0.7-4.6 s-1 and those for the exchange of UR hydroxyl protons, Hb, over the temperature range 298-328 K are 1.8-8.1 s-1. Activation energies calculated for these exchange processes are 9.0 ± 0.5 kcal/mol and 10.2 ± 1.0 kcal/mol, respectively. The chemical shift of dissolved water is largely dependent upon the concentration of UR. An upper limit for the critical aggregation concentration of UR is 10-5 M as shown by 1H NMR.

AB - The behavior of water in a benzene solution of C-undecylcalix[4]resorcinarene (UR) is studied by 1H 2D NMR exchange spectroscopy and by 1D NMR. The rate constants for exchange of the UR hydroxyl protons, Ha, with water over the temperature range 298-338 K are 0.7-4.6 s-1 and those for the exchange of UR hydroxyl protons, Hb, over the temperature range 298-328 K are 1.8-8.1 s-1. Activation energies calculated for these exchange processes are 9.0 ± 0.5 kcal/mol and 10.2 ± 1.0 kcal/mol, respectively. The chemical shift of dissolved water is largely dependent upon the concentration of UR. An upper limit for the critical aggregation concentration of UR is 10-5 M as shown by 1H NMR.

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Hydrogen bonding in a host-guest system: C-undecylcalix[4]resorcinarene and water in benzene

Abstract

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