Molecular Recognition in the Gas Phase: Rates, Structures, and Energetics Without Solvents or Counterions

气相分子识别：无溶剂或抗衡离子的速率、结构和能量学

• 批准号: 9221224
• 负责人: David Dearden
• 金额: $ 9.7万
• 依托单位: University of Texas at Arlington
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-01-15 至 1994-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9221224&HistoricalAwards=false
• 关键词: Molecular; Recognition; Gas; Phase; Rates

This grant from the Organic Dynamics Program supports the work of Professor Dearden at the University of Texas at Arlington. The study will investigate the intrinsic molecular recognition properties of crown ethers and related ligands for metal and molecular ions in the gas phase using ion cyclotron resonance and tandem mass spectrometric techniques. The specific areas concern (a) the identification of chemical systems which exhibit recognition effects, (b) the measurement of host-guest affinities, and (c) the investigation of the rates and mechanisms of gas phase recognition reactions. Subtopics that will be studied are (a) the effects of varying the cavity size and the number and types of ligand donor atoms, (b) intrinsic reactivity of naturally occurring ionophores, and (c) chiral recognition in ion-molecule reactions. %%% The results from Professor David D. Dearden's gas phase study on the interaction between crown ethers and metal/molecular ions will complement data available on molecular recognition in solution and will thereby enable the differentiation between intrinsic and solvent effects. The study also addresses chiral recognition and includes naturally-occurring, biologically-active ionophores (molecules facilitating ion transport through membranes). The outcome of this research will enable an identification and characterization of cage-type reagents which react selectively on the basis of size and shape.

有机动力学计划的这笔赠款支持德克萨斯大学阿灵顿分校迪尔登教授的工作。该研究将利用离子回旋共振和串联质谱技术研究气相中冠醚和相关配体对金属和分子离子的内在分子识别特性。具体领域涉及（a）表现出识别效应的化学系统的识别，（b）主客体亲和力的测量，以及（c）气相识别反应的速率和机制的研究。将研究的子主题是（a）改变空腔尺寸以及配体供体原子的数量和类型的影响，（b）天然存在的离子载体的固有反应性，以及（c）离子分子反应中的手性识别。 %%% David D. Dearden 教授关于冠醚和金属/分子离子之间相互作用的气相研究结果将补充溶液中分子识别的可用数据，从而能够区分内在效应和溶剂效应。该研究还涉及手性识别，包括天然存在的生物活性离子载体（促进离子通过膜传输的分子）。这项研究的成果将能够识别和表征根据尺寸和形状选择性反应的笼型试剂。