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波谱这一非常重要领域的概念理解。 这是通过使用当前流行且经过验证的 Anasazi 技术将旧的连续波 NMR 波谱仪 (EM360A) 升级为 FT-NMR 仪器来实现的。 此次硬件/软件升级使仪器现代化，并将其功能扩展到 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 谱。 NMR 基础知识在面向科学专业（包括护理和联合健康专业学生）的 100 级和 200 级课程（普通、有机）中介绍。 在该级别，重点是质子解耦 C-13 NMR，每门课程至少有一个实验来说明 NMR 在分子结构分析中的用途。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。 在后续课程中，NMR 概念扩展到包括质子谱、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 技术以及其他原子核（例如 P-31）的使用。分子建模将观察到的 C-13 位移与计算出的原子电荷联系起来，并允许计算光谱。选择在该项目中实施的实验是化学教育文献（主要是化学教育杂志）和教科书中记录的实验的改编和增强。 在独特的合作伙伴关系中，学生可以将他们的 C-13 和 H-1 60 MHz 频谱与邻近大学拥有更大 300 MHz 仪器的频谱和/或互联网上提供的频谱进行比较。 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，并且可以作为其他有兴趣加强 NMR 课程的小型机构的项目模型。 该项目的评价/评估活动由具有该领域专业知识的外部顾问协助。

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.