Low-valent and low-coordinate main group chemistry

低价低配位主族化学

• 批准号: RGPIN-2018-05531
• 负责人: Macdonald, Charles
• 金额: $ 6.99万
• 依托单位: Carleton University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=748469
• 关键词: Low; valent; low; coordinate; main

The research program outlined in this proposal entails the development and investigation of several new families of inorganic reagents. In particular, this research is focused on the chemistry of the main group, which includes the elements of the s- and p-blocks of the periodic table. Although these elements are components in many important materials e.g. the transparent semi-conductor called "indium tin oxide" is a critical component of touch screens and solar panels and chemical compounds (e.g. phosphates in fertilizers and cleaning products), the chemistry of these elements remains poorly understood and controlled in comparison to those of organic chemistry or transition metal chemistry. Our studies include both the synthesis of new main group compounds and the accurate modeling of chemical species and reactions through the use of computational chemistry. The target compounds consist of new classes of chemicals that contain main group elements in unusually low oxidation states and coordination numbers. Low oxidation state compounds are electron-rich and are typically highly reactive as are many elements with low coordination numbers. We have discovered convenient approaches to mediate the reactivity of several major classes of these compounds so that they are stable enough to be isolated yet still possess the desired reactivity characteristics. Our compounds allow for the convenient synthesis of many compounds that are difficult or impossible to make using traditional methods and we endeavour to use our new reagents to obtain many unprecedented types of chemicals. We will also explore the utility of our reagents (and chemicals derived from them) as precursors for the formation of new or important materials. In addition to their synthetic utility, the compounds studied will provide many new insights into the fundamental aspects of the chemistry of the main group elements. The understanding provided by such studies form the foundation necessary for the rational design and development of chemicals and materials derived from main group compounds.

该提案中概述的研究计划需要开发和研究几个新的无机试剂家族。 该研究特别关注主族的化学，其中包括元素周期表中 s 区和 p 区的元素。 尽管这些元素是许多重要材料的组成部分，例如被称为“氧化铟锡”的透明半导体是触摸屏、太阳能电池板和化合物（例如化肥和清洁产品中的磷酸盐）的关键成分，但与有机元素相比，这些元素的化学性质仍然知之甚少。化学或过渡金属化学。我们的研究包括新主族化合物的合成以及通过使用计算化学对化学物质和反应进行精确建模。 目标化合物由新型化学物质组成，这些化学物质含有氧化态和配位数极低的主族元素。 低氧化态化合物富含电子，通常具有高反应性，许多低配位数元素也是如此。 我们已经发现了调节这些化合物的几个主要类别的反应性的方便方法，使得它们足够稳定，可以被分离，但仍然具有所需的反应特性。 我们的化合物可以方便地合成许多使用传统方法难以或不可能制备的化合物，并且我们努力使用我们的新试剂来获得许多前所未有的化学品类型。 我们还将探索我们的试剂（以及由它们衍生的化学品）作为形成新的或重要材料的前体的效用。 除了合成用途外，所研究的化合物还将为主族元素化学的基本方面提供许多新的见解。 这些研究提供的理解构成了合理设计和开发源自主族化合物的化学品和材料所必需的基础。