Details

Autor(en) / Beteiligte

• Zischang, Julia
• Lee, Juhyon J.
• Suhm, Martin A.

Titel

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

Ist Teil von

• The Journal of chemical physics, 2011-08, Vol.135 (6), p.061102-061102-4

Ort / Verlag

United States: American Institute of Physics

Erscheinungsjahr

2011

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Supersonic jet FTIR spectroscopy supplemented by 18 O 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.