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

在这个项目中，我们一直致力于建立一个新的实验装置，用于尺寸选择的氢键团簇的激光光谱研究，并一直致力于在分子水平上研究水溶剂化体系的结构。在这一年里，我们主要做了以下工作：1.仪器的研制：我们建立了一台新的红外解离光谱分析仪器，并结合了一台带有八极离子导向器的串联式Q极质谱仪。该仪器允许我们选择质量尺寸为2000微米的簇状物种的光谱。我们还发展了另一种新的光谱方法，将激光双共振技术与红外和真空紫外光相结合。这使得我们能够对基本化合物的团簇结构进行光谱研究，如NH_3.2。氢键网络结构的研究：利用新型串联质谱仪，对…进行了尺寸选择红外光谱研究质子化水团簇的氢键网络结构最大可达100聚体。结果表明，这种特征光谱特征在100-mer时仍然存在，表现出团簇中以质子核为特征的网络结构。这项研究成果已作为交流论文发表在一份国际期刊上。此外，还对水/甲醇混合体系的网络形成进行了光谱研究，并发表了结果。用IR-VUV双共振光谱方法研究了非质子化NH3及其中性分子的团簇结构，这是对该物种的首次光谱研究，结果以书面形式发表。新的和/或极弱氢键体系的光谱研究：我们首次发现了一个新的氢键簇合物，它包含一个带有Si-H基团的化合物，红外光谱研究结合理论计算揭示了这些簇合物实际上是由双氢键形成的，这是已知发生在两个氢位之间的。这项研究结果已发表在一份国际期刊上。较少

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