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)这个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，并利用这一技术来提高对核磁共振光谱这一非常重要的领域的概念性理解。这是通过将较老的连续波核磁共振波谱仪(EM360A)升级为使用当前流行和经过验证的Anasazi技术的FT-核磁共振仪器来实现的。这次硬件/软件升级使仪器现代化，并将其能力扩展到2D实验和其他原子核，包括C-13、P-31和F-L9。超核磁共振是现有部门软件的一个分子模拟插件，允许计算各种原子核的化学位移、分裂常数和核磁共振谱。核磁共振的基本原理介绍在100级和200级的课程(一般，有机)为理科专业，包括护理和专科健康学生。在这一层面上，重点是质子去耦合的C-13核磁共振，每门课程至少有一个实验来说明核磁共振在分子结构分析中的使用。与传统的H-1核磁共振方法相比，这一方法提供的教学优势是对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来区分C-13核磁共振中的碳类型、2-D技术以及其他核的使用，如P-31。分子模拟将观测到的C-13位移与原子上的计算电荷联系起来，并允许计算光谱。本项目中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/或互联网上提供的频谱进行比较。重要的比较结果将公布在该部的网页上。这种核磁共振概念的综合方法正在对当地的课程产生重大影响，并可以作为其他有兴趣加强其核磁共振课程的小型机构课程的典范。该项目的评价/评估活动由一名具有该领域专门知识的外部顾问提供协助。

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.