Critical size for intracluster proton transfer from water to an anion

被引：11

作者：

Wolf, Israel ^{[1
]}

Shapira, Avraham ^{[1
]}

Giniger, Rina ^{[1
]}

Miller, Yifat ^{[2
,3
]}

Gerber, R. Benny ^{[2
,3
,4
]}

Cheshnovsky, Ori ^{[1
]}

机构：

[1] Tel Aviv Univ, Sackler Sch Chem, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel

[2] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel

[3] Hebrew Univ Jerusalem, Fritz Haber Res Ctr, IL-91904 Jerusalem, Israel

[4] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 33期

关键词：

ab initio calculations; clusters; photoelectron spectroscopy; proton transfer; water chemistry;

D O I：

10.1002/anie.200800542

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(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. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：6272 / 6274

页数：3

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