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

本项目的主要目标是将经济实惠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学这一非常重要领域的概念理解。这是通过使用目前流行和成熟的Anasazi技术，将旧的连续波核磁共振光谱仪（EM360A）升级为FT-NMR仪器来实现的。该硬件/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附加组件，可以计算各种原子核的化学位移、分裂常数和核磁共振光谱。核磁共振的基础知识介绍了100级和200级课程（一般，有机）的科学专业，包括护理和相关的健康学生。在这个层次上，重点是质子解耦的C-13核磁共振，在每门课程中至少有一个实验来说明核磁共振在分子结构分析中的应用。与传统的H- 1核磁共振方法相比，这种方法的教学优势在于C-13核磁共振的解释简单。在随后的课程中，核磁共振的概念被扩展到包括质子谱，自旋-自旋分裂的概念，使用DEPT在C-13核磁共振中区分碳的类型，二维技术，以及其他核的使用，如P-31。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。本项目选择实施的实验是对化学教育文献（主要是J.化学教育）和教科书中记录的实验的改编和增强。在一个独特的合作伙伴关系中，学生们将他们的C-13和H-1 60 MHz频谱与邻近大学使用更大的300 MHz仪器的频谱和/或与互联网上可用的频谱进行比较。重要的比较结果发布在该部门的网页上。这种核磁共振概念的综合方法对当地的课程产生了重大影响，可以作为其他对加强核磁共振课程感兴趣的小型机构的课程的模型。该项目的评价/评价活动由一名在这方面具有专门知识的外部顾问协助进行。

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.