Fourier Transform NMR in the Chemistry Curriculum: an Integrated Approach Using a Permanent Magnet FT-NMR in Conjunction with High Field NMR Data Files and Computational Chemistry

化学（12）该项目的主要目标是将负担得起的现代核磁共振技术引入各级化学课程，并利用它来提高对核磁共振光谱学这一非常重要领域的概念理解。 这是通过将较旧的连续波NMR光谱仪（EM 360 A）升级为使用目前流行和成熟的Anasazi技术的FT-NMR仪器来实现的。 这次硬件/软件升级使仪器现代化，并将其能力扩展到2D实验和其他核，包括C-13，P-31和F-19。 HyperNMR是现有部门软件的分子建模插件，可以计算各种原子核的化学位移、分裂常数和NMR光谱。 NMR的基础知识在100级和200级课程（一般，有机）中介绍给科学专业，包括护理和专职医疗学生。 在这个层次上，重点是质子去耦的C-13 NMR，在每门课程中至少有一个实验来说明NMR在分子结构分析中的应用。与传统的H- 1 NMR方法相比，这种方法的教学优势在于C-13 NMR的解释简单。 在随后的课程中，NMR的概念被扩展到包括质子光谱，自旋-自旋分裂的概念，使用DEPT来区分C-13 NMR中的碳类型，2-D技术以及其他核如P-31的使用。分子模型将观察到的C-13位移与原子上计算的电荷联系起来，并允许计算光谱。选择在这个项目中实施的实验是改编和增强的实验记录在化学教育文献（主要是J.化学教育），并在教科书中。 在一个独特的合作伙伴关系，学生比较他们的C-13和H-1 60 MHz光谱与光谱从邻近的大学与一个更大的300 MHz仪器和/或光谱可在互联网上。 重要的比较结果发布在该部门的网页上。这种NMR概念的综合方法对当地的课程产生了重大影响，可以作为其他有兴趣加强NMR课程的小型机构的课程模式。 该项目的评价/评估活动由一名具有这方面专门知识的外部顾问提供便利。

Chemistry (12) The major objective of this project is to introduce affordable, modern nuclear magnetic resonance technology into the chemistry curriculum at all levels and to use this to improve conceptual understanding of the very important area of NMR spectroscopy. This is accomplished by upgrading an older continuous wave NMR spectrometer (EM360A) to an FT-NMR instrument using the currently popular and proven Anasazi technology. This hardware/software upgrade modernizes the instrument and extends its capability to 2D experiments and to other nuclei, including C-13, P-31, and F-l9. HyperNMR, a molecular modeling add-on to existing departmental software, allows for the computation of chemical shifts, splitting constants, and NMR spectra for a variety of nuclei. The fundamentals of NMR are introduced in 100-level and 200-level courses (General, Organic) for science majors, including nursing and allied health students. At that level, the focus is on proton decoupled C-13 NMR, with at least one experiment in each course to illustrate the use of NMR in molecular structure analysis. The pedagogical advantage this offers over the traditional H- 1 NMR approach is the simplicity of interpretation of C-13 NMR. In subsequent courses, NMR concepts are extended to include proton spectra, the concept of spin-spin splitting, the use of DEPT to distinguish types of carbons in C-13 NMR, 2-D techniques, and the use of other nuclei such as P-31. Molecular modeling relates observed C-13 shifts to computed charges on the atoms, and allows the computation of spectra. The experiments chosen to be implemented in this project are adaptations and enhancements of experiments documented in the chemical educational literature (primarily the J. Chemical Education), and in textbooks. In a unique partnership, students compare their C-13 and H-1 60 MHz spectra with spectra from a neighboring university with a larger 300 MHz instrument and/or with spectra available on the Internet. Significant comparative results are posted to the department's WEB page. This integrated approach to NMR concepts is having a substantial impact on the curriculum locally and can serve as a model for programs at other small institutions who are interested in strengthening their NMR curriculum. The evaluation/assessment activities of this project are facilitated by an external consultant with expertise in this area.