Thermochemistry of Metal-ligand Bonds (Singly and Multiply Charged)

金属-配体键的热化学（单电荷和多电荷）

• 批准号: 0451477
• 负责人: Peter Armentrout
• 金额: $ 66.5万
• 依托单位: University of Utah
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-03-01 至 2008-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0451477&HistoricalAwards=false
• 关键词: Thermochemistry; Metal; ligand; Bonds; Singly

Peter Armentrout of the University of Utah is supported by the Experimental Physical Chemistry Program to continue his experimental research in gas-phase organometallic ion chemistry and chemical dynamics. This effort will utilize guided ion beam tandem mass spectrometry, coupled with ion production using a DC discharge/flow tube ion source and a newly developed electrospray/ion funnel/hexapole ion guided ion source. Four related areas of chemical interactions will be studied. First, studies of the chemistry of third row transition metal ions designed to measure bond energies between metals and various hydrogen, oxygen, and carbon ligands will be pursued. An ion mobility source will be developed to enable new state-specific chemistry studies on heavier transition metal elements with an emphasis on a quantitative evaluation of spin-orbit effects on reactivity. Second, solvation energies of multiply charged metal ions will be quantitatively assessed starting with the hydration of doubly-charged alkaline earth metal ions. Next, bond dissociation energies between metal ions and biologically relevant molecules will be explored. Finally, additional studies of the energy transfer function will be performed and statistical methods for analysis of reaction dynamics will continue to be developed, including those for sequential dissociation pathways, multiply-charged metal-ligand complexes, and increasingly large systems. The thermodynamic information that is acquired and disseminated in this research is relevant to applications in surface science, organometallic chemistry, catalysis, biological systems, and plasma chemistry. The data analysis program CRUNCH, which continues to evolve, is made freely available and used by groups around the world. The undergraduate and graduate students, and postdoctoral associates involved in this interdisciplinary science are exposed to a broad range of topics, working with state-of-the-art physical and analytical methods.

犹他州大学的Peter Armentrout得到了实验物理化学计划的支持，继续他在气相有机金属离子化学和化学动力学方面的实验研究。这项工作将利用引导离子束串联质谱，加上离子生产使用直流放电/流管离子源和新开发的电喷雾/离子漏斗/六极离子引导离子源。 将研究化学相互作用的四个相关领域。首先，将进行第三行过渡金属离子的化学研究，旨在测量金属与各种氢、氧和碳配体之间的键能。 将开发一种离子迁移率源，以便能够对较重的过渡金属元素进行新的特定状态的化学研究，重点是定量评价自旋轨道对反应性的影响。 第二，从双电荷碱土金属离子的水合作用开始，对多电荷金属离子的溶剂化能进行定量评估。 接下来，将探索金属离子和生物相关分子之间的键离解能。 最后，将进行能量传递函数的进一步研究，并将继续开发用于分析反应动力学的统计方法，包括用于连续解离途径、多电荷金属配体络合物和越来越大的系统的方法。在这项研究中获得和传播的热力学信息与表面科学，有机金属化学，催化，生物系统和等离子体化学中的应用有关。 数据分析程序CRUNCH不断发展，可供世界各地的团体免费使用。参与这一跨学科科学的本科生和研究生以及博士后同事接触到广泛的主题，使用最先进的物理和分析方法。