MRI: Acquisition of a Variable-Temperature, Dual-Wavelength, Single-Crystal X-Ray Diffractometer

该奖项由主要研究仪器项目和化学研究仪器项目支持。爱荷华大学的伦纳德·麦吉利夫雷教授和他的同事詹姆斯·格洛尔、克里斯托弗·皮格、格雷戈里·弗里斯塔德和斯科特·戴利获得了一台双源单晶衍射仪。通常，X射线衍射仪可以准确和精确地测量分子的完整三维结构，包括键距离和角度，并提供关于分子相对于邻近分子的空间排列的准确信息。这里描述的研究影响到许多领域，包括有机化学和无机化学、材料化学和生物化学。该仪器是该机构在化学、药物化学、药学和生物化学方面的研究生和本科生的教学和科研培训的组成部分。它还免费为爱荷华州东部、伊利诺伊州西部和密苏里州北部没有单晶X射线衍射仪的本科院校的教职员工和学生研究人员提供结晶学服务。该提案旨在加强所有级别的研究和教育。它尤其影响分子固体中非共价键效应的研究和模板化固相反应的探索。衍射仪有助于表征使用非无辜配体的合成化合物，以及那些具有f元素的软给体配体的化合物。该仪器对于将富含地球的金属与非无害配体用于电化学二氧化碳还原的研究至关重要。它在设计N-酰肼催化碳氢活化以及研究自由基极性交叉反应中的反应性和选择性方面也很有用。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Leonard MacGillivray from University of Iowa and colleagues James Gloer, Christopher Pigge, Gregory Friestad and Scott Daly have acquired a dual source single crystal diffractometer. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here impact many areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument is an integral part of teaching as well as research and research training of graduate and undergraduate students in chemistry, medicinal chemistry, pharmacy and biochemistry at this institution. It also provides crystallographic services free of charge to faculty and student researchers in primarily undergraduate institutions that do not possess single-crystal X-ray diffractometers in eastern Iowa, western Illinois, and northern Missouri.The proposal is aimed at enhancing research and education at all levels. It especially impacts studies on effects of noncovalent bonding in molecular solids and exploration of templated solid-state reactions. The diffractometer aids the characterization of synthesized compounds using non-innocent ligands, and those having soft-donor ligands with f-elements. The instrument is essential for studies coupling earth-abundant metals with non-innocent ligands to be used in electrochemical carbon dioxide reduction. It is also useful in designing catalytic carbon-hydrogen activation with N-acylhydrazones and for studying reactivity and selectivity in radical polar crossover reactions.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.