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Kcal/mol

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  1. Kcal/mol 1.7 X 103 5.7 X 105 9.5 X 103 4.8 X 102 72 1.2 9.5 X 10-3 10-4 EIMS NMR

  2. Nuclear Magnetic Resonance (NMR) Spectroscopy To here! From here…

  3. The Nobel Prize in Physics 1952 "for their development of new methods for nuclear magnetic precision measurements and discoveries in connection therewith" Felix Bloch Edward Mills Purcell

  4. Magnetic nuclei are in resonance with external magnetic field if they absorb energy and “spin-flip” from low energy state (parallel orientation) to high energy state (antiparallel orientation).

  5. Magnetic nuclei are in resonance with external magnetic field if they absorb energy and “spin-flip” from low energy state (parallel orientation) to high energy state (antiparallel orientation).

  6. Dependence of the difference in energy between lower and higher nuclear spin levels of the hydrogen atom

  7. Dependence of the difference in energy between lower and higher nuclear spin levels of the hydrogen atom Nuclei in different environments (i.e. with different amounts of electron density around them) will require different amounts of energy to “flip” to higher energy different spin state

  8. Fig. 13-4, p. 444

  9. Old School: Continuous wave (CW) 40 MHz NMR spectrometer 1960

  10. 1964 Old School: Continuous wave (CW) 60 MHz NMR spectrum

  11. Not so old: 1980’s 60 MHz

  12. 900 MHz NMR spectrometer Yokohama City University 500 MHz NMR spectrometer Northern Kentucky University

  13. The Nobel Prize in Chemistry 1991 "for his contributions to the development of the methodology of high resolution nuclear magnetic resonance (NMR) spectroscopy" Richard R. Ernst

  14. Free-induction decay data and proton-decoupled 13C nuclear magnetic resonance spectra

  15. 13C NMR spectrum 1-pentanol : 1 scan Fig. 13-6, p. 447

  16. 13C NMR spectrum 1-pentanol : 1 scan 13C NMR spectrum 1-pentanol : 200 scans Fig. 13-6, p. 447

  17. 13.3 The Nature of NMR Absorptions 1H NMR spectrum 13C NMR spectrum

  18. The Nobel Prize in Chemistry 2002 "for his development of nuclear magnetic resonance spectroscopy for determining the three-dimensional structure of biological macromolecules in solution" Kurt Wüthrich

  19. Sir Peter Mansfield Paul C. Lauterbur The Nobel Prize in Medicine 2003 "for their discoveries concerning magnetic resonance imaging"

  20. Less energy to flip nucleus More energy to flip nucleus chemical shift d, ppm

  21. Information in a 13C NMR spectrum 13C NMR spectrum

  22. 77 ppm CDCl3 Fig. 13-7, p. 448

  23. sp3 77 ppm CDCl3 Fig. 13-7, p. 448

  24. Fig. 13-10a, p. 451

  25. Information in a 1H NMR spectrum 1H NMR spectrum 13C NMR spectrum

  26. Table 13-2, p. 457

  27. Table 13-3, p. 458

  28. 6.5 – 8.0 Table 13-3, p. 458

  29. C6H12O2

  30. spin-spin splitting

  31. Fig. 11-13, p. 424

  32. 3.4130 3.4165 3.4235 3.4270 Fig. 13-13, p. 460

  33. 3.4130 3.4165 3.4235 3.4270 d 3.42 Fig. 13-13, p. 460

  34. Common NMR splitting patterns

  35. C3H7Br Fig. 11-15, p. 425

  36. 12 C3H7Br 2 Fig. 11-15, p. 425

  37. 1.5 C10H12O2 1 1.5 1 1 Fig. 11-16, p. 427

  38. C10H12O 4.5 4.5 3 3 3

  39. Fig. 13-19, p. 466

  40. Fig. 13-19, p. 466

  41. p. 409

  42. end

  43. Fig. 13-1, p. 441