Intramolecular versus intermolecular hydrogen bonding in solution

J. Kroon; L. M. J. Kroon-Batenburg; B. R. Leeflang; J. F. G. Vliegenthart

doi:10.1016/0022-2860(94)87018-7

Intramolecular versus intermolecular hydrogen bonding in solution

J. Kroon
, L. M. J. Kroon-Batenburg
, B. R. Leeflang
, J. F. G. Vliegenthart

Dept of Chemistry

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

Abstract

The balance between intra- and intermolecular hydrogen bonding is studied for a solution of methyl β-cellobioside in water and dimethylsulfoxide by 1H NMR and molecular dynamics simulations. In water O(3) predominantly interacts with water molecules, whereas in dimethylsulfoxide it is intramolecularly hydrogen bonded to O(5'). The temperature coefficient of the chemical shift of the hydroxy groups appears to be a reliable indicator of intermolecular hydrogen-bond formation, whereas the exchange rate is not.

Original language	English
Pages (from-to)	27-31
Journal	Journal of Molecular Structure
Volume	322
Issue number	1
DOIs	https://doi.org/10.1016/0022-2860(94)87018-7
Publication status	Published - 1 Jun 1994

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10.1016/0022-2860(94)87018-7

http://adsabs.harvard.edu/abs/1994JMoSt.322...27K

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title = "Intramolecular versus intermolecular hydrogen bonding in solution",

abstract = "The balance between intra- and intermolecular hydrogen bonding is studied for a solution of methyl β-cellobioside in water and dimethylsulfoxide by 1H NMR and molecular dynamics simulations. In water O(3) predominantly interacts with water molecules, whereas in dimethylsulfoxide it is intramolecularly hydrogen bonded to O(5'). The temperature coefficient of the chemical shift of the hydroxy groups appears to be a reliable indicator of intermolecular hydrogen-bond formation, whereas the exchange rate is not.",

author = "J. Kroon and Kroon-Batenburg, \{L. M. J.\} and Leeflang, \{B. R.\} and Vliegenthart, \{J. F. G.\}",

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AU - Kroon, J.

AU - Kroon-Batenburg, L. M. J.

AU - Leeflang, B. R.

AU - Vliegenthart, J. F. G.

PY - 1994/6/1

Y1 - 1994/6/1

N2 - The balance between intra- and intermolecular hydrogen bonding is studied for a solution of methyl β-cellobioside in water and dimethylsulfoxide by 1H NMR and molecular dynamics simulations. In water O(3) predominantly interacts with water molecules, whereas in dimethylsulfoxide it is intramolecularly hydrogen bonded to O(5'). The temperature coefficient of the chemical shift of the hydroxy groups appears to be a reliable indicator of intermolecular hydrogen-bond formation, whereas the exchange rate is not.

AB - The balance between intra- and intermolecular hydrogen bonding is studied for a solution of methyl β-cellobioside in water and dimethylsulfoxide by 1H NMR and molecular dynamics simulations. In water O(3) predominantly interacts with water molecules, whereas in dimethylsulfoxide it is intramolecularly hydrogen bonded to O(5'). The temperature coefficient of the chemical shift of the hydroxy groups appears to be a reliable indicator of intermolecular hydrogen-bond formation, whereas the exchange rate is not.

U2 - 10.1016/0022-2860(94)87018-7

DO - 10.1016/0022-2860(94)87018-7

M3 - Article

SN - 0022-2860

VL - 322

SP - 27

EP - 31

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

IS - 1

ER -

Intramolecular versus intermolecular hydrogen bonding in solution

Abstract

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