Mechanistic Studies of Organic Reactivity

有机反应机理研究

• 批准号: 0953464
• 负责人: Jeehiun Lee
• 金额: $ 34.5万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-04-15 至 2015-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0953464&HistoricalAwards=false
• 关键词: Mechanistic; Studies; Organic; Reactivity

The Chemical Structure, Dynamics, and Mechanisms Program supports Professor Jeehiun K. Lee at Rutgers University New Brunswick whose research describes gas-phase experimental and computational studies designed to gain an improved understanding of the acidity, basicity and reactivity of organic species, such as damaged nucleobases and heterocyclic carbenes (NHCs). The fundamental properties of normal and damaged bases will be examined to gain an essential understanding of how damaged bases, some of which are quite mutagenic, differ in properties from normal bases. These fundamental studies will elucidate the intrinsic properties of damaged bases, which have implications for ultimately controlling their mutagenicity. N-Heterocyclic carbenes (NHCs) are stabilized carbenes that have a wide variety of applications including, as effective novel ligands for transition-metal-catalyzed reactions; as catalysts in their own right, for a range of organic transformations; and in protonated form, as environmentally "clean" nonvolatile solvents for organic reactions (ionic liquids). In this project, the gas phase proton affinity of such carbenes will be explored, using mass spectrometric methods. The resulting knowledge may be useful for improved design of NHCs as ligands, catalysts and ionic liquids since the basicity of such species impacts their utility in these applications.With the support of the Chemical Structure, Dynamics, and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr.Lee's research will utilize experimentation and theory while involving mass spectrometry, organic synthesis and different levels of calculations to provide excellent training and education for undergraduate and graduate students. The proposed work will advance the understanding of the thermochemical properties of a wide range of molecules, and has the potential to impact a wide range of topics, including enzyme mechanism, mutagenicity of unnatural nucleobases, and synthetic utility of carbenes. The PI is dedicated to the recruitment and inclusion of women and underrepresented minorities into science. She is involved with the Rutgers Office of Promotion of Women in Science, Engineering and Math, which was recently awarded an NSF Advance Grant to promote the participation and advancement of women in science, engineering and math through recruitment, retention, networking, liaisons, communication, visibility and family initiatives. On a smaller scale, the PI has three Ph.D.-track female graduate students and through her new role as the Director of Graduate Admissions in the Chemistry Department at Rutgers University. Dr. Lee has been and will continue to be actively involved in recruiting a diverse graduate population.

化学结构、动力学和机制项目支持罗格斯大学新不伦瑞克分校的 Jeehiun K. Lee 教授，他的研究描述了气相实验和计算研究，旨在更好地了解有机物质的酸度、碱度和反应性，例如受损的核碱基和杂环卡宾 (NHC)。将检查正常和受损碱基的基本特性，以获得对受损碱基（其中一些具有相当诱变性）与正常碱基特性有何不同的基本了解。这些基础研究将阐明受损碱基的内在特性，这对于最终控制其致突变性具有重要意义。 N-杂环卡宾 (NHC) 是稳定的卡宾，具有广泛的应用，包括作为过渡金属催化反应的有效新型配体；作为一系列有机转化的催化剂；并以质子化形式作为有机反应的环境“清洁”非挥发性溶剂（离子液体）。在该项目中，将使用质谱方法探索此类卡宾的气相质子亲和力。由此产生的知识可能有助于改进 NHC 作为配体、催化剂和离子液体的设计，因为此类物质的碱性会影响它们在这些应用中的效用。在美国国家科学基金会化学部化学结构、动力学和机制项目的支持下，李博士的研究将利用实验和理论，同时涉及质谱、有机合成和不同级别的计算，为 NHC 提供出色的培训和教育。 本科生和研究生。拟议的工作将增进对各种分子热化学性质的理解，并有可能影响广泛的主题，包括酶机制、非天然核碱基的致突变性和卡宾的合成用途。 PI 致力于招募和吸收女性和代表性不足的少数群体进入科学领域。她参与了罗格斯大学科学、工程和数学领域女性促进办公室的工作，该办公室最近获得了美国国家科学基金会的预付款，旨在通过招聘、保留、网络、联络、沟通、知名度和家庭举措来促进女性在科学、工程和数学领域的参与和进步。在较小的规模上，PI 拥有三名博士生女研究生，并通过她担任罗格斯大学化学系研究生招生主任的新角色。李博士一直并将继续积极参与招募多元化的毕业生群体。