Vibrational spectroscopy of small Br-•(H2O)n and I-•(H2O)n clusters:: Infrared characterization of the ionic hydrogen bond

被引：168

作者：

Ayotte, P ^{[1
]}

Bailey, CG ^{[1
]}

Weddle, GH ^{[1
]}

Johnson, MA ^{[1
]}

机构：

[1] Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 18期

关键词：

D O I：

10.1021/jp9803900

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report the mid-infrared (3200-3800 cm(-1)) vibrational predissociation spectra of the Br-. W-n and I-. W-n (W = H2O; 1 less than or equal to n less than or equal to 6) clusters, as well as several mixed solvent cases, I-. W . M [M = Ar, CH3I, (CH3I)(2)], involving the iodide monohydrate. While the spectra of the pure monomers and dimers are quite dependent on the halogen, the envelopes become similar by the trimers, with the larger clusters displaying a very wide, unresolved band reminiscent of the bulk water spectrum. There is a general blue shift of the band maxima with increasing solvation in both systems, an effect consistent with the strengthening of the inter-water hydrogen-bonding network at the expense of the ionic hydrogen bonds.

引用

页码：3067 / 3071

页数：5

共 42 条

[1] HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS [J].