Identifying 2- and 3-coordinated H2O in protonated ion water clusters by vibrational pre-dissociation spectroscopy and ab initio calculations

被引：65

作者：

Wang, YS ^{[1
]}

Jiang, JC ^{[1
]}

Cheng, CL ^{[1
]}

Lin, SH ^{[1
]}

Lee, YT ^{[1
]}

Chang, HC ^{[1
]}

机构：

[1] ACAD SINICA,INST ATOM & MOL SCI,TAIPEI 106,TAIWAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1997年 / 107卷 / 22期

关键词：

D O I：

10.1063/1.475294

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：

Clustering of water on protonated molecular ions has been investigated by vibrational predissociation spectroscopy. Systematic measurements at different cluster sizes reveal a close resemblance of the OH stretch spectra between NH4+(H2O)(n), CH3NH3+(H2O)(n), and H3O+(H2O)(n). particularly at n greater than or equal to 6, a sharp feature, identical to that found on ice and water surfaces, emerges at 3690 cm(-1) for free-OH stretching. The feature is distinguished from the other free-OH absorption, commonly observed for small-and medium-sized (H2O)(n) clusters at 3715 cm(-1). The results, in conjunction with ab initio calculations, provide compelling evidence for 2- and 3-coordinated H2O in the protonated ion-water clusters. (C) 1997 American Institute of Physics.

引用

页码：9695 / 9698

页数：4

共 27 条

[1] STRUCTURES, BINDING-ENERGIES, AND THERMODYNAMIC FUNCTIONS OF NH4+, NH3(CENTER-DOT+), AND THEIR H2O COMPLEXES [J].