Developing Reliable Strategies for Hydrogen- and Halogen Bond Driven Supramolecular Synthesis

开发氢键和卤素键驱动的超分子合成的可靠策略

• 批准号: 0957607
• 负责人: Christer Aakeroy
• 金额: $ 46.7万
• 依托单位: Kansas State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-09-15 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0957607&HistoricalAwards=false
• 关键词: Developing; Reliable; Strategies; Hydrogen; Halogen

With the support from the Macromolecular, Supramolecular, and Nanochemistry Program, Professor Christer Aakeröy of the Department of Chemistry at Kansas State University, will establish versatile supramolecular design strategies based on site-specific intermolecular interactions, by determining how relatively small molecules prefer to bind to each other. In particular, the team will (i) design and synthesize ditopic molecules that utilize tunable halogen-bond interactions for constructing supermolecules and co-crystals with pre-determined motifs and stoichiometries; (ii) determine how hydrogen bonds and halogen bonds can be made to operate side-by-side in a hierarchical fashion in the assembly of binary and ternary co-crystals; and (iii) establish whether hydrogen-bond/halogen-bond based synthetic methodologies can be informed by a systematic analysis that integrates experimental thermodynamic data with calculated binding energies.Chemistry is the science of communication and change, and these interrelated processes are primarily initiated and controlled by reversible interactions between molecules. A better understanding of these inter-molecular forces can be refined into versatile pathways for improving processing, performance and shelf-life of a wide range of specialty chemicals such as pharmaceuticals, nutraceuticals, agrochemicals, semiconductors, dyes, and energetic materials. Students who participate in this research will obtain an interdisciplinary foundation that will prepare them particularly well for scientific challenges that arise at intersections of biology, chemistry, and materials science. The research team contains a high proportion of women and minority students, and all group members are expected to attend and present their work at scientific meetings as frequently as possible, and results from this research will therefore be disseminated quickly via conferences and peer-reviewed publications. To further broaden outreach efforts, the PI will participate in campus-based programs that specifically offer research opportunities for female high school students and undergraduate minority students, respectively.

在大分子、超分子和纳米化学项目的支持下，堪萨斯州立大学化学系的Christer Aakeröy教授将通过确定相对较小的分子如何相互结合，建立基于位点特异性分子间相互作用的通用超分子设计策略。 特别是，该团队将（i）设计和合成双配位分子，利用可调卤素键相互作用构建具有预定基序和化学计量的超分子和共晶体;（ii）确定如何使氢键和卤素键在二元和三元共晶体的组装中以分级方式并排操作;以及（iii）建立基于氢键/卤素键的合成方法是否可以通过将实验热力学数据与计算的结合能相结合的系统分析来告知。化学是交流和变化的科学，并且这些相互关联的过程主要由分子之间的可逆相互作用引发和控制。 对这些分子间力的更好理解可以改进为多种途径，用于改善各种特种化学品的加工，性能和保质期，如药品，营养品，农用化学品，半导体，染料和含能材料。 参加这项研究的学生将获得跨学科的基础，这将使他们为生物学，化学和材料科学交叉点出现的科学挑战做好准备。 研究小组中妇女和少数民族学生的比例很高，所有小组成员都应尽可能频繁地出席科学会议并在会上介绍其工作，因此，这项研究的结果将通过会议和同行评议的出版物迅速传播。为了进一步扩大外展工作，PI将参加以校园为基础的计划，专门为女高中生和本科少数民族学生提供研究机会，分别。