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Investigation of High Oxidation States by Matrix-Isolation Spectroscopy in Neat Fluorine Matrices

通过基质隔离光谱研究纯氟基质中的高氧化态

基本信息

批准号：
186940745
负责人：
Professor Dr. Sebastian Hasenstab-Riedel
金额：
--
依托单位：
Abteilung Anorganische Chemie
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2010
资助国家：
德国
起止时间：
2009-12-31 至 2014-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/186940745?language=en
关键词：
Investigation Oxidation States Matrix Isolation

项目摘要

The research that we propose to undertake at the Albert-Ludwigs Universität Freiburg at the Institut für Anorganische und Analytische Chemie is primarily aimed at developing the chemistry of highly oxidized transition metals. The dominate emphasis will be on matrix-isolation spectroscopy, fluorine chemistry and quantum-chemical calculations and can be summarized as “Computer Aided Synthesis of Highly Oxidized Species”. Accordingly to this guideline we have planned to investigate thermochemical and kinetic stabilities of highly oxidized molecules or intermediates by state-of-the-art quantum-chemical calculations. Based on the calculations, possible candidates will be chosen for the proposed matrix-isolation experiments. As we are aiming for highly oxidized species, we like to develop the synthesis of the molecules in question in neat fluorine matrices. For instance the application of neat fluorine matrices together with laser ablated metals will push the transition metals under investigation to their highest oxidation limit. This new approach for example should result in a significant extension of the chemistry of this little studied field of high-valent fluorine compounds and our understanding of transition metal species in their highest oxidation states and at the limits of coordination. This is by no means only of academic interest, because several industrial processes employ highly oxidized species directly or as intermediates, and the precise mechanism is often still under debate and therefore demands further investigation.

我们建议在弗赖堡阿尔伯特-路德维希大学的分析化学研究所进行的研究主要旨在开发高度氧化的过渡金属的化学。主要的重点将是在矩阵隔离光谱，氟化学和量子化学计算，并可以概括为“计算机辅助合成高度氧化物种”。根据该指南，我们计划通过最先进的量子化学计算研究高度氧化的分子或中间体的热化学和动力学稳定性。根据计算结果，将选择可能的候选人进行拟议的基质隔离实验。由于我们的目标是高度氧化的物种，我们喜欢开发在纯氟基质中合成所讨论的分子。例如，纯氟基质与激光烧蚀金属一起的应用将把研究中的过渡金属推向其最高氧化极限。例如，这种新的方法应该会导致高价氟化合物这一很少研究的领域的化学的显著扩展，以及我们对过渡金属物种在其最高氧化态和配位极限的理解。这不仅仅是学术上的兴趣，因为一些工业过程直接使用高度氧化的物种或作为中间体，精确的机制往往仍在争论中，因此需要进一步的研究。

项目成果

期刊论文数量（8）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Fluorine-Rich Fluorides: New Insights into the Chemistry of Polyfluoride Anions.

DOI：
10.1002/anie.201502624
发表时间：
2015-07
期刊：
Angewandte Chemie
影响因子：
0
作者：
Thomas Vent‐Schmidt;Felix Brosi;J. Metzger;T. Schlöder;Xuefeng Wang;L. Andrews;Carsten Müller;H. Beckers;S. Riedel
通讯作者：
Thomas Vent‐Schmidt;Felix Brosi;J. Metzger;T. Schlöder;Xuefeng Wang;L. Andrews;Carsten Müller;H. Beckers;S. Riedel

Investigation of Praseodymium Fluorides: A Combined Matrix-Isolation and Quantum-Chemical Study.

氟化镨的研究：基质分离和量子化学的联合研究