TY - JOUR
T1 - Intramolecular versus intermolecular hydrogen bonding in solution
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 -