MRI: Acquisition of a Single Crystal X-Ray Diffractometer to Enhance Undergraduate Research and Education in South Florida

MRI：购买单晶 X 射线衍射仪以加强南佛罗里达州的本科生研究和教育

• 批准号: 1919785
• 负责人: Gregory McManus
• 金额: $ 16.5万
• 依托单位: Florida Gulf Coast University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-01 至 2022-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1919785&HistoricalAwards=false
• 关键词: MRI; Acquisition; Single; Crystal; Ray

This award is funded by the Major Research Instrumentation (MRI) and Chemical Instrumentation (CRIF) programs. Professor Gregory McManus from Florida Gulf Coast University and colleagues Arsalan Mirjafari, Gregory Boyce, Daniel Paull and Xiaofei Zhang are acquiring a single crystal X-ray diffractometer. A diffractometer is a powerful tool used to determine the detailed structures of crystalline chemical compounds. X-rays are passed through a crystal of interest and a diffraction pattern is produced. The pattern is analyzed to obtain the microscopic structure, that is, the distances and angles between atoms in the material. This structural data provides insight on the properties and possible uses of materials. The researchers are investigating materials that can be used to store gases, such as methane or hydrogen for fuel applications. Another investigation focuses on electrode materials for energy storage devices such as the lithium ion battery. The diffractometer supports a network of chemistry faculty committed to undergraduate research and education in south Florida including: Florida Gulf Coast University, Florida Southern University, New College of Florida, Ave Maria University, St. Thomas University and Barry University. The instrument is used to train undergraduate students in research. The instrument is also used in lecture and laboratory courses preparing students for the modern workforce.The acquisition of a single crystal x-ray diffractometer at Florida Gulf Coast University is used to support a wide variety of research projects including the synthesis of metal-organic materials for gas adsorption applications and the development of low-melting ionic liquids with high crystallinity which can be used as solvents in organic synthesis and separations. Metal-organic framework systems are being studied for possible development as lithium-ion battery electrode materials. The diffractometer is used to investigate the structure of palladium catalysts for possible use in synthesizing bioactive natural products. Serpentine, a silicate mineral with three different types of crystals called polymorphs, is under study as a material for mineral-carbon dioxide sequestration. The diffractometer is used in studies to identify which polymorph is present in various samples.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该奖项由主要研究仪器（MRI）和化学仪器（CRIF）计划资助。 来自佛罗里达墨西哥湾沿岸大学的Gregory McManus教授及其同事Arsalan Mirjafari、Gregory博伊斯、丹尼尔保尔和Xiaofei Zhang正在购买一台单晶X射线衍射仪。衍射仪是用来确定晶体化合物的详细结构的有力工具。X射线穿过感兴趣的晶体并产生衍射图案。分析图案以获得微观结构，即材料中原子之间的距离和角度。 这些结构数据提供了对材料性质和可能用途的洞察。 研究人员正在研究可用于储存气体的材料，如用于燃料应用的甲烷或氢气。 另一项研究集中在用于储能装置如锂离子电池的电极材料上。 该衍射仪支持南佛罗里达致力于本科研究和教育的化学教师网络，包括：佛罗里达墨西哥湾沿岸大学、佛罗里达南方大学、佛罗里达新学院、圣母大学、圣托马斯大学和巴里大学。 该仪器用于培养研究型本科生。 该仪器还用于讲座和实验室课程，帮助学生为现代劳动力做好准备。佛罗里达墨西哥湾沿岸大学购买的单晶X射线衍射仪用于支持各种研究项目，包括用于气体吸附应用的金属有机材料的合成和低成本的具有高结晶度的熔融离子液体，可用作有机合成和分离中的溶剂。 金属-有机骨架体系正在研究作为锂离子电池电极材料的可能发展。 用该衍射仪研究了钯催化剂的结构，为合成具有生物活性的天然产物提供了可能。 蛇纹石是一种硅酸盐矿物，具有三种不同类型的晶体，称为多晶型物，正在研究作为矿物二氧化碳封存的材料。该衍射仪用于研究中，以确定哪种多晶型存在于各种样品中。该奖项反映了NSF的法定使命，并已被认为是值得通过评估使用基金会的知识价值和更广泛的影响审查标准的支持。

项目成果

A three-step enantioselective synthesis of (+)- and (−)-α-thujone

( )-和()-α-侧柏酮的三步对映选择性合成

• DOI: 10.1039/d1ob01505b
• 发表时间: 2021
• 期刊: Organic & Biomolecular Chemistry
• 影响因子: 3.2
• 作者: Weeks, Kellie L.;Williams, Jack D.;Boyce, Gregory R.
• 通讯作者: Boyce, Gregory R.

Molecular design principles of ionic liquids with a sulfonyl fluoride moiety

• DOI: 10.1039/d0nj05603k
• 发表时间: 2021-02
• 期刊: New Journal of Chemistry
• 影响因子: 3.3
• 作者: David J. Siegel;Grace I Anderson;Noah Cyr;D. Lambrecht;M. Zeller;Patrick C. Hillesheim;A. Mirjafari

Structural, surface, and computational analysis of two vitamin-B1 crystals with sulfonimide-based anions

• DOI: 10.1515/zkri-2021-2040
• 发表时间: 2021-09
• 期刊: Zeitschrift für Kristallographie - Crystalline Materials
• 作者: Sophia A. Bellia;L. Teodoro;Joseph R. Traver;Gary L. Guillet;M. Zeller;Patrick C. Hillesheim

Covalently linked hydrogen bond donors: The other side of molecular frustration in deep eutectic solvents

• DOI: 10.1063/5.0058165
• 发表时间: 2021-08-28
• 期刊: JOURNAL OF CHEMICAL PHYSICS
• 影响因子: 4.4
• 作者: Recker, Elizabeth A.;Hardy, David;Wagle, Durgesh V.
• 通讯作者: Wagle, Durgesh V.

Transmutation of Scent: An Evaluation of the Synthesis of Methyl Cinnamate, a Commercial Fragrance, via a Fischer Esterification for the Second-Year Organic Laboratory

• DOI: 10.1021/acs.jchemed.0c00861
• 发表时间: 2020-09
• 期刊: Journal of Chemical Education
• 影响因子: 3
• 作者: J. H. Steele;Marie X. Bozor;Gregory R. Boyce