Laser spectroscopic study on hydrogen-bon-network structures of water-solvated clusters

在本项目中，我们一直打算发展一种新的激光光谱研究的大小选择的氢键团簇的实验装置，并一直致力于水溶剂化体系的结构的分子水平的研究。于本年度，我们主要进行以下工作：1.仪器开发：我们建立了一个新的仪器，红外解离光谱结合串联Q极质量分析器与八极离子导向。该仪器使我们能够对质量大小为2000 amu的簇物种进行大小选择光谱。我们还发展了另一种新的光谱方法，即激光双共振技术与红外和真空紫外光相结合。这使我们能够进行光谱研究的基本化学化合物，如NH_3.2的簇结构。氢键网络结构的研究：利用新型串联质谱仪，我们进行了分子尺寸选择性红外光谱分析， ...更多信息 质子化水分子团簇的氢键网络结构，其大小可达100-mer。结果表明，即使在100聚体的特征光谱特征继续，表现出网络结构的质子核心的集群。研究结果已作为交流论文发表在一份国际期刊上。此外，还对水/甲醇混合物体系的网络形成进行了光谱研究，并发表了结果。利用IR-VUV双共振光谱方法，我们研究了非质子化NH_3以及中性分子的团簇结构，这是该物种的第一次光谱研究，结果已作为论文发表.新型和/或极弱氢键体系的光谱研究：我们首次发现了一种新型的氢键簇合物，其中含有Si-H基团，红外光谱研究结合理论计算表明，簇合物实际上是由双氢键形成的，这是已知的两个氢位点之间发生的。该研究结果已发表在一份国际期刊上。少

In this project, we have been intended to develop a new experimental setup for laser spectroscopic investigation of size-selected hydrogen-bonded clusters, and have been aiming for the molecular-level investigation on structures of water-solvated systems. In this year, we have mostly performed the followings:1. Instrumental Development : We have established a new instrument for IR dissociation spectroscopy combined with a tandem Q-pole mass analyzer with an Octapole ion guide. The instrument allows us to size-selected spectroscopy of cluster species with mass size of 2000 amu. We also have developed another new spectroscopic method involving laser double resonance techniques combined with IR and the vacuum ultraviolet light. This allows us to perform spectroscopic investigation of cluster structure of fundamental chemical compounds, such as NH_3.2. Studies on Hydrogen-Bond-Network Structures : By using the new tandem mass analyzer, we have performed the size-selected IR spectroscopy on … More the hydrogen-bonding network structures of protonated water clusters with the size upto 100-mer. The results represent that the characteristic spectral feature continues even at 100-mer, exhibiting the network structure characterized by the proton core in the clusters. The resulthas been published in an international journal, as a communication paper. Also the spectroscopic studies on network formations of the water/methanol mixture systems have been performed and the results have been published. By using IR-VUV double resonance spectroscopic method, we have investigated cluster structures of non-protonated NH3 as well as the neutrals, which is the first spectroscopic investigation of the species, so that the result has been published as a letter paper.3. Spectroscopic Investigations on Novel and/or Extremely Week Hydrogen Bonded Systems : We have found a novel hydrogen-bonded clusters involving a compound with a Si-H group for the first time, and the IR spectroscopic investigation combined with theoretical calculations has revealed the clusters are really formed by the di-hydrogen bond, which is known to occur between two hydrogen sites. The result has been published in an international journal. Less