RT info:eu-repo/semantics/article
T1 Hydrogen-Bond Cooperativity in Formamide2–Water: A Model for Water-Mediated Interactions
A1 Blanco Rodríguez, Susana
A1 Pinacho Morante, Pablo
A1 López Alonso, Juan Carlos
K1 Physical Chemistry
AB The rotational spectrum of formamide2-H2O formed in a supersonic jet has been characterized by Fourier transform microwave spectroscopy. This adduct provides a simple model of water mediated interaction involving the amide linkages, as occur in protein folding or amide association processes, showing the interplay between self-association and solvation. Mono-substituted 13C, 15N, 18O and 2H isotopologues have been observed to investigate the structure. The adduct forms an almost planar three body sequential cycle. The two formamide molecules link on one side through an N-H···O hydrogen bond and on the other side through a water-mediated interaction with the formation of C=O···H-O and O···H-N hydrogen bonds. The analysis of the quadrupole coupling effects due to the presence of two 14N-nuclei reveal the subtle inductive forces associated to cooperative hydrogen bonding. These forces are involved in the changes detected in the C=O and C-N bond distances with respect to bare formamide.
PB Wiley
SN 1433-7851
YR 2016
FD 2016
LK http://uvadoc.uva.es/handle/10324/21858
UL http://uvadoc.uva.es/handle/10324/21858
LA eng
NO Angewandte Chemie International Edition,  2016, 55, p. 9331 –9335
NO Producción Científica
DS UVaDOC
RD 22-dic-2024