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Updated: Jun 20, 2026

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
Published on: February 1, 2020
Infrared spectroscopy and quantum chemical calculations of OH-(H2O)n complexes
Kazuhide Tsuji1, Kazuhiko Shibuya
1Gunma National College of Technology, Maebashi 371-8530, Japan. ktsuji@nat.gunma-ct.ac.jp
Abstract:
Infrared spectra of OH-(H2O)n (n = 1, 2) isolated in solid Ne were measured by FT-IR spectroscopy. Complexes of OH-(H2O)n were prepared by vacuum ultraviolet (VUV) photolysis of water clusters, and the OH radical stretch and HOH bending vibrations of OH-H2O and OH-(H2O)2 complexes were identified with the aid of quantum chemical calculations. Observation of the recombination reaction OH-H2O + H --> (H2O)2 under dark conditions provides undisputed evidence for our spectroscopic assignment. Quantum chemical calculations predict the cyclic structure to be the most stable for OH-(H2O)2 and OH-(H2O)3. The strength of the hydrogen bond within OH-(H2O)n depends on cluster size.
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