Fullerene and Endohedral Fullerene Structures for Applications in Molecular Electronics and MRI

技术概述：在美国国家科学基金会化学部的支持下，该研究小组将开发两个不同但相关的项目，涉及富勒烯；其中一个项目旨在以区域选择性的方式合成含有多个加合物的C60衍生物家族，随后将作为潜在的单分子晶体管进行测试，另一个项目涉及制备新型三金属氮化内嵌富勒烯，这种富勒烯可能用作MRI和x射线造影剂。C60化合物被设计成具有独特的电子特性和自组装能力，在分子电子学中具有潜在的应用，特别是作为分子晶体管。具体来说，我们将合成C60的区域选择性多n -芳基吡咯烷加合物，以便利用这些基团选择性地将化合物连接到电极表面，以研究它们的电子性质。三金属氮化物内嵌项目涉及制备含有镧系氮化物的新型化合物，这些化合物最近才被该小组报道，它们具有独特的电子和结构特性，在MRI和x射线对比应用中具有潜在价值。特别令人感兴趣的是制备比C80更大的碳笼，到目前为止，C80是三金属氮化物的主要结构。C88和C96笼是制备和结构和电子表征的目标。将研究含有新镧系元素簇（Nd, Pr， Ce和La氮化物）的新笼的电子和磁性能，并评估这些化合物作为MRI和x射线造影剂的潜在用途。该基金的总体目标是制备新的和有趣的分子，这些分子将具有重要的现实应用，以造福社会并扩展化学知识体系。非技术总结：在美国国家科学基金会化学部的支持下，新的富勒烯（也称为“巴基球”）及其衍生物将被制备出来。富勒烯是封闭的三维笼状化合物，有些具有球形对称性，完全由碳原子构成。将制备和表征的新化合物将被评估为潜在的单分子电子器件（晶体管和开关）以及潜在的MRI和x射线造影剂。该小组将在本科、研究生和博士后阶段培训和指导代表性不足的少数族裔，特别是西班牙裔。该小组还将与美国国内外的小组进行互动和合作。项目主任在这两个更广泛的影响领域有着悠久而富有成效的历史。

TECHNICAL SUMMARY:With support from the Chemistry Division of the NSF, this research group will develop two distinct but related projects involving fullerenes; one designed to synthesize a family of C60 derivatives containing multiple adducts in a regioselective manner, later to be tested as potential single molecule transistors, and another project that involves the preparation of novel trimetallic nitride endohedral fullerenes that are potentially useful as MRI and X-Ray contrast agents. The C60 compounds are designed to exhibit unique electronic properties and self-assembling abilities for potential applications in molecular electronics, specifically as molecular transistors. Specifically, regioselective multiple N-aryl-pyrrolidine adducts of C60 will be synthesized in order to use these groups to selectively connect the compounds to electrode surfaces in order to study their electronic properties. The trimetallic nitride endohedral project involves the preparation of novel compounds containing lanthanide nitrides that have only been recently reported by this group, which possess unique electronic and structural properties of potential value in MRI and X-Ray contrast applications. Of particular interest is the preparation of larger carbon cages than C80, which so far has been the dominant structure with trimetallic nitrides. C88 and C96 cages are targeted for preparation and structural and electronic characterization. The electronic and magnetic properties of the new cages containing the new lanthanide clusters (Nd, Pr, Ce and La nitrides) will be studied and the potential uses of these compounds as MRI and X-Ray contrast agents will be assessed. The overall thrust of the grant is the preparation of new and interesting molecules that will have important real-world applications to benefit society and expand the body of chemical knowledge. NON-TECHNICAL SUMMARY:With support from the Chemistry Division of the NSF, new fullerenes (also known as ?buckyballs?) and their derivatives will be prepared. Fullerenes are closed three dimensional cage compounds, some possessing spherical symmetry, made exclusively of carbon atoms. The new compounds that will be prepared and characterized will be evaluated as potential single molecule electronic devices (transistors and switches) and as potential MRI and X-Ray contrast agents. The group will train and mentor underrepresented minorities, especially Hispanics, at the undergraduate, graduate and postdoctoral levels. The group will also interact and collaborate with groups both within and outside of the USA. The Project Director has a long and fruitful history in both of these broader impact areas.