《核磁共振波谱学基础》教学大纲（英文版）.docx

"Special Topics for NMR Spectroscopy5Course SyllabusCourse Code： 09040012Course Category:专业选修课程 Major electiveMajors： Chemistry, Chemical EngineeringSemester: FallTotal Hours： 36 Hours Credit： 2 学分Lecture Hours: 36 Hours Lab Hours: 0 学时 Practice Hours: 0 学时Textbooks： R. M. Silverstein et al., Spectrometric Identification of Organic Compounds, 8th Ed., Wiley, 2014.References：• R. M. Silverstein et aL, Spectrometric Identification of Organic Compounds, 8th Ed., Wiley, 2014.• M. H. Levitt, Spin Dynamics: Basics of Nuclear Magnetic Resonance, Wiley, 2005.• J. Keeler, Understanding NMR, Wiley, 2005.• S. Braun et aL, 150 and More Basic NMR Experiments, 2nd Ed., Wiley, 1999.Teaching Aim：This course will fbcus on the basic theory of how NMR spectroscopy works, fundamentals of Fourier transform spectroscopy, maximizing the available spectral information, data quality and reliability through optimization of data collection and processing parameters. It intended for advanced undergraduate and beginning graduate students who expect to collect and process their own data. There will be discussions and examples of how (o recognize bad/unreliable data, the best way to present spectroscopic data, when an experiment should be repeated, and difference between acceptable and unethical data manipulation. Concepts will be illustrated with a generous number of figures from real spectral data of small molecules and polymers. Underlying themes throughout the course will also include the scientific method, ethics in science and spectroscopy, and environmental issues. These will be discussed by comparing and drawing parallels between spectroscopic data and digital photography. Generous use of striking digital images from international world heritage sites will be used for this purpose.Chapter One Fundamental NMR课时：1周，共2课时Contents1. What causes nuclear spin2. Interaction of nuclear spin with a magnetic field3. Spin polarization, magnetic moment, Boltzmann distribution4. Sensitivity compared to other spectroscopy5. Detectable Nuclei Periodic Table6. Detectability, magnetic moment, isotopic abundance, magnetic field strength7. Commonly obsen ed nuclei H,C,F,P8. Rotating reference frame, interaction of spins with Bo and B)9. Basic one pulse ID-NMR experiment1. Magnet2. Rf Components3. Role of computerChapter Three Proton NMR spectra 课时：2周，共4课时Contents1. Chemical Shift2. Peak intensities3. J Coupling4. Relaxation (Ti, T2)Chapter Four Carbon 13 NMR spectra 课时：2周，共4课时Contents1. Chemical Shift2. Peak intensities3. J Coupling4. Relaxation (Ti, T2)Chapter Five What should I do before I go to the NMR Lab 课时：1周，共2课时Contents1. Sample amount2. Tubes3. Solvents4. Height5. Look at sample ( undissolvcd, sample uniformity)Chapter Six Getting the best ID-NMR spectrum Data Collection and Processing 课时：1周，共2课时Contents1. ID NMR optimization (pulse width/relaxation delay, acquisition time)2. Optimimum instrument receiver gain3. Signal averaging (nt vs. signal to noise level)4. Processing for best S:N (zero filling, weighting data)*How can I get a good spectrum in 1 hour instead of 16 hours without making more sample*How do I get more of my overnight experiments to work. What should i do before I go home for the evening and let the instrument collect my data overnight.*1 collected this spectrum overnight and still don't see my peaks can I please have one more hour to get better signal to noise? Why this is folly.*Limits of detection*How accurate are my chemical shifts?*1 don't have any sample left and the spectrum I collected all weekend has no peaks!! (90% of the time signals can be recovered from these spectra with optimal data processing)1. Diffusion process2. NMR with pulsed magnetic field gradients3. Basic Gradient diffusion measurements (Stejskal/Tanner Equation)4. Nucleus5. Nature of sample (large/small molecule)6. Gradient and diffusion delays7. Convection8. J Coupling artifacts9. Spectral WindowChapter Eight Intro to 2D-NMR 课时：1周，共2课时Contents1. Pulse sequence2. TerminologyChapter Nine Methods for determining atomic connectivity 课时：1周，共2课时Contents1. Homonuclear 2D NMR2. Heteronuclear 2D NMR3. Structure information4. SFORD, APT, INEPT, DEPT5. Multiplicity edited 2D-NMR6. Filtering interfering signals (ethics)Chapter Ten2D-Processing (XL)课时：1周，共2课时Contents1.Baseline correction2.Weighting3.Data extension4.Dataset size/digital resolution5.Undesired signal cancellationChapter Eleven Presentation of 2D data (XL) 课时：1周，共2课时Contents1. Contours and spacing2. Region selection3. LabelingChapter Twelve Quantitative NMR Data Collection 课时：1周，共2课时Contents1. Role of relaxation and parameter optimization2. Ti experiment3. What can go wrong with Ti measurement and is the data still acceptable?4. Uniform excitation (relation between pulse width and real e。