Communication: Where does the first water molecule go in imidazole?

Autor: Zischang, Julia, Lee, Juhyon J., Suhm, Martin A.
Předmět:
Zdroj: Journal of Chemical Physics; 8/14/2011, Vol. 135 Issue 6, p061102, 4p
Abstrakt: Supersonic jet FTIR spectroscopy supplemented by 18O substitution shows unambiguously that water prefers to act as an O-H···N hydrogen bond donor towards imidazole, instead of acting as a N-H···O acceptor. Previous matrix isolation, helium droplet, and aromatic substitution experiments had remained ambiguous, as are standard quantum chemical calculations. The finding is supported by a study of the analogous methanol complexes and by higher level quantum chemical calculations. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index