
Yifat Miller
Senior Academic
Critical size for intracluster proton transfer from water to an anion
(Figure Presented) Bigger is better: Proton transfer in the electronic ground state for (C6H5NH-)·(H 2O)n has been investigated by photoelectron spectroscopy. At a critical size of n = 3, one proton of a water molecule is captured by the deprotonated aniline to form solvated OH- (see picture). These experimental observations are supported by ab initio calculations that establish the greater stability of the solvated OH- anion for n ≥ 3.
| Publication language | English |
| Pages | 6272-6274 |
| Journal | Angewandte Chemie - International Edition |
| Volume | 47 |
| Issue number | 33 |
| Publication status | Published - 04.08.2008 |
Keywords
Ab initio calculations
Clusters
Photoelectron spectroscopy
Proton transfer
Water chemistry
ASJC Scopus subject areas
Catalysis
General Chemistry