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

在这个项目中，我们打算建立一个新的实验装置，用于激光光谱研究尺寸选择的氢键团簇，并一直致力于水溶剂化体系结构的分子水平研究。在这一年中，我们主要完成了以下工作：仪器发展：我们建立了一种新的红外解离光谱仪器，结合八极离子导串联q极质谱分析仪。该仪器允许我们对质量大小为2000 μ m的团簇物种进行尺寸选择光谱。我们还开发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线相结合。这使我们能够对基本化合物（如NH_3.2）的团簇结构进行光谱研究。氢键网络结构的研究：利用新型串联质谱仪，对100高分子质子化水团簇的氢键网络结构进行了尺寸选择红外光谱分析。结果表明，即使在100摩尔时，光谱特征仍然存在，呈现出以质子核为特征的网状结构。该研究结果作为一篇交流论文发表在一本国际期刊上。此外，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。我们利用IR-VUV双共振光谱方法，研究了非质子化NH3的团簇结构和中性物质，这是首次对该物质进行光谱研究，并将结果作为信报发表。新型和/或极周氢键系统的光谱研究：我们首次发现了一种含有Si-H基团的化合物的新型氢键团簇，红外光谱研究结合理论计算表明，该团簇实际上是由双氢键形成的，这是已知发生在两个氢位点之间的。该研究结果已发表在一本国际期刊上。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