SGER: Inelastic Electron Tunneling Spectroscopy and Nanogravimetry of New Transition Metal based Organometal DiHydrogen Complexes

该SGER奖授予弗吉尼亚大学材料研究部固态材料化学项目，旨在对基于过渡金属有机金属化合物的二氢络合物的新型固态薄膜进行重量分析和光谱研究。 这些有机金属配合物将通过脉冲激光烧蚀在定制的条件下合成，以适当地匹配汽化的金属与气体等离子体中存在的碳原子。该项目将使用纳米重量和原位非弹性电子隧道光谱测量，研究这些二氢络合物的以下方面：a）氢分子在有机金属络合物中的附着及其结合强度; B）过渡金属原子簇对氢吸收的影响;以及c）络合物释放氢的最佳速率和程度的条件。 其他过渡金属配合物的合成与其他碳源的烷烃和环状基团也将进行研究，以阐明二氢配合物的形成机制。 这项研究的结果预计将对未来的储氢技术产生直接影响。 研究结果将通过出版物、讲座和介绍会传播，研究生和本科生将参与其中。 本项目主要研究过渡金属有机金属配合物的分子氢键作用机理。 这种氢键似乎既不是？身体上的也不是？化学的？而是中间类型的。 比谁更强？身体上的结合意味着大量的氢分子可以被吸附而不冷却到低温温度和弱于？化学的？结合意味着氢可以在适宜的不太高的温度下解吸。 这种中间类型的结合的强度预计会强烈影响吸附到有机金属络合物上的氢分子的振动频率。 该项目将使用电子方法进行重量分析和光谱研究，以确定吸收的氢量及其结合亲和力。 拟议的实验研究将与基于精确量子力学计算的现有理论预测相关联。 这项研究的结果预计将对未来的储氢技术产生直接影响。 计划已经到位，将拟议的研究纳入一章？纳米材料用于能源？这将成为一门新课程的一部分，纳米物理学导论这是最近在弗吉尼亚大学开始的。

This SGER award to University of Virginia from the Solid State Materials Chemistry program in the Division of Materials Research is to carry out gravimetric and spectroscopic investigations on new solid state thin films of dihydrogen complexes based on transition metal organometallics. These organometallic complexes will be synthesized by pulsed laser ablation under conditions tailored to appropriately match the vaporized metal with carbon atoms present in the gas plasma. Using both nanogravimetric and in-situ Inelastic Electron Tunneling Spectroscopic measurements, the project will study these dihydrogen complexes for the following: a) the attachment of hydrogen molecules in the organometallic complexes and their binding strength; b) the effect of transition metal atoms clusters on hydrogen uptake; and c) the conditions for optimum rate and degree of hydrogen release from the complexes. Other transition metal complexes synthesized with other carbon sources from alkane and cyclic groups will also be studied to elucidate the mechanism for the dihydrogen complex formation. The outcome from the proposed research is expected to have a direct impact on future hydrogen storage technologies. Results from the studies will be disseminated through publications, talks and presentations with the involvement of graduate students and undergraduate students. Molecular hydrogen binding mechanism on transition metal organometallic complexes will be studied by this project. This hydrogen binding appear to be neither ?physical? nor ?chemical? but of an intermediate type. The stronger than ?physical? binding means that large numbers of hydrogen molecules can be adsorbed without cooling to cryogenic temperatures and weaker than ?chemical? binding means that the hydrogen can be desorbed at convenient not too high temperatures. The strength of this intermediate type of binding is expected to strongly influence the vibration frequencies of the hydrogen molecule adsorbed on to organometallic complexes. The project will carry out gravimetric and spectroscopic studies using an electronic method that could determine the amount of hydrogen absorbed and its binding affinities. The proposed experimental studies will be correlated with available theoretical predictions based on accurate quantum mechanical calculations. The outcome from the proposed research is expected to have a direct impact on future hydrogen storage technologies. Plans are in place to integrate the proposed research into a chapter on ?Nanomaterials for Energy? that will form part of a new course called ?Introduction to Nanophysics? that was started recently at University of Virginia.