RUI: NMR Crystallography and Weak Hydrogen Bonds

有了这个新奖项，化学结构、动力学和机制项目支持奥伯林学院的Manish a . Mehta教授的一个项目，该项目涉及使用x射线和中子衍射、量子化学计算和固态核磁共振光谱研究一系列肽。现代核磁共振技术的结合将表征一系列四个甘氨酸中心和四个丙氨酸中心三肽中的碳-13和氮-15化学位移张量，这些三肽跨越一系列分子几何形状。此外，x射线和中子衍射，固体核磁共振和计算化学将用于研究弱氢键在同源系列的三个肽。这些对已知结构分子的研究将使固态核磁共振数据建立在更严格的基础上，并加强核磁共振和晶体学数据集之间的联系。该项目包括与x射线衍射、中子散射和核磁共振光谱专家的合作活动，将为奥柏林学院的本科生提供宝贵的研究经验。这笔赠款将支持为高中化学教师举办的暑期讲习班，以便将现代光谱学的发展带入美国高中课堂。

With this New Award, the Chemical Structure, Dynamics, and Mechanisms Program supports Professor Manish A. Mehta of Oberlin College in a project involving investigations of a series of peptides using X-ray and neutron diffraction, quantum chemical calculations and solid-state NMR spectroscopy. A combination of modern NMR techniques will characterize the carbon-13 and nitrogen-15 chemical shift tensors in a series of four glycine-central and four alanine-central tripeptides, which span a range of molecular geometries. In addition, X-ray and neutron diffraction, solid-state NMR and computational chemistry will be used to investigate weak hydrogen bonds in a homologous series of three peptides. These investigations of molecules with known structure will place solid-state NMR data on a more rigorous footing and strengthen the links between NMR and crystallographic data sets.This project, which includes collaborative activities with experts in X-ray diffraction, neutron scattering, and NMR spectroscopy, will provide valuable research experiences for Oberlin College undergraduates. The grant will support ongoing summer workshops for high school chemistry teachers in order to bring developments in modern spectroscopy to U.S. high school classrooms.