High-Resolution Spectroscopy of 3d Metal-Containing Compounds: Insights into Bond Activation, Catalysis, and Synthesis

3d 含金属化合物的高分辨率光谱：深入了解键活化、催化和合成

• 批准号: 1057924
• 负责人: Lucy Ziurys
• 金额: $ 38.86万
• 依托单位: University of Arizona
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-03-15 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1057924&HistoricalAwards=false
• 关键词: Resolution; Spectroscopy; 3d; Metal; Containing

Professor Lucy Ziurys of the University of Arizona is supported by the Chemical Structure, Dynamics and Mechanisms Program to investigate model systems of relevant 3d transition metal compounds using high resolution gas-phase spectroscopy in the range of 4 - 850 GHz. This technique is particularly useful in the investigation of such species because basic molecular properties can be directly extracted from the spectra. The molecules of interest are almost entirely free radicals and molecular ions, and fall into five classes: 1) methane insertion products HMCH3, such as HCoCH3; 2) early 3d metal cyanides/isocyanides ScNC, TiNC, VCN/VNC; 3) metal hydroxides MOH, including MnOH and FeOH; 4) metal monoacetylides MCCH, such as TiCCH; and 5) MO+ metal oxide cluster ions. The study of these molecules will provide fundamental information for the understanding of C-H bond activation, mechanisms of MO+ catalysts, and the interaction of 3d metals with H2O and the CN moiety, relevant to biology and surface science, as well the basic knowledge of how metals bond to other functional groups.Transition metals play a wide and varied role in modern chemistry, including organic and inorganic synthesis, industrial catalysis, materials science, and in biomedical sciences. Despite their ubiquitous presence in both industrial and academic sectors, the chemistry of transition metals is far from understood. The investigations proposed will provide transformative insights into this chemistry.The millimeter/sub-mm technologies being developed in the Ziurys group in the context of this proposal are also applicable to analytical chemistry and poison-gas detection for Homeland Security. Finally, the proposed studies have important and potentially far-reaching consequences for the chemical industry, in particular, in catalyst design and the conversion of inert alkanes into useful products. This research project will lead to new knowledge about transition metals and molecules that could impact numerous applications such as catalyst design. Students who work on this project are being educated in experimental techniques in physical chemistry, and being prepared for challenging technical careers.

亚利桑那大学的Lucy Ziurys教授得到化学结构，动力学和机制计划的支持，使用4 - 850 GHz范围内的高分辨率气相光谱研究相关3d过渡金属化合物的模型系统。这种技术在研究这类物质时特别有用，因为基本的分子性质可以直接从光谱中提取出来。感兴趣的分子几乎完全是自由基和分子离子，并且分为五类：1）甲烷插入产物HMCH 3，例如HCoCH 3; 2）早期3d金属氰化物/异氰化物ScNC、TiNC、VCN/VNC; 3）金属氢氧化物MOH，包括MnOH和FeOH; 4）金属单乙炔化物MCCH，例如TiCCH;和5）MO+金属氧化物簇离子。对这些分子的研究将为理解C-H键的活化、MO+催化剂的机理、3d金属与H2O和CN部分的相互作用、与生物学和表面科学相关的基础信息以及金属如何与其他官能团键合的基础知识提供基础信息。过渡金属在现代化学中发挥着广泛而多样的作用，包括有机和无机合成，工业催化、材料科学和生物医学科学。尽管它们在工业和学术领域无处不在，但过渡金属的化学性质远未被理解。拟议的研究将为这种化学提供变革性的见解。Ziurys小组在本提案背景下开发的毫米/亚毫米技术也适用于国土安全部的分析化学和毒气检测。最后，拟议的研究对化学工业具有重要和潜在的深远影响，特别是在催化剂设计和惰性烷烃转化为有用产品方面。该研究项目将带来有关过渡金属和分子的新知识，这些知识可能会影响催化剂设计等众多应用。从事该项目的学生正在接受物理化学实验技术的教育，并为具有挑战性的技术职业做准备。