Foundations of molecular structure determination

Machine generated contents note: ch. 1 Overview, energy levels, and the electromagnetic spectrum

1.1. Introduction

1.2. Energy levels, transitions between them, and the electromagnetic spectrum

ch. 2 Rotational and vibrational spectroscopy

2.1. Introduction

2.2. Rotational spectroscopy

2.3. Rotational energy levels

2.4. Pure rotational microwave and millimetre wave spectroscopy of diatomic molecules

2.5. Microwave and millimetre wave spectroscopy of linear triatomic molecules

2.6. Rotational spectroscopy of non-linear polyatomic molecules

2.7. Experimental methods in microwave and millimetre wave spectroscopy

2.8. Rotational Raman spectroscopy

2.9. Experimental methods in rotational Raman spectroscopy

2.10. Vibrational spectroscopy

2.11. Infrared spectroscopy

2.12. Vibrational Raman spectroscopy

2.13. Vibrationrotation spectroscopy

2.14. Group vibrations, chemical characterization, and analysis

2.15. Examples of infrared spectra of organic molecules

2.16. Carbonyl group modes in inorganic metal complexes

2.17. Summary

2.18. Exercises

2.19. Further reading

ch. 3 Electronic (ultraviolet-visible) absorption spectroscopy

3.1. Introduction

3.2. Electronic energy changes

3.3. Electronic absorption spectroscopy of organic molecules

3.4. The relationship λmax and εmax to structure

3.5. Some applications of UV and visible absorption spectroscopy

3.6. Summary

3.7. Exercises

3.8. Further reading

ch. 4 Nuclear magnetic resonance spectroscopy

4.1. Introduction

4.2. The NMR experiment

4.3. The NMR spectra of organic molecules

4.4. Examples of spectra showing spinspin splittings

4.5. Other structural information from 'H NMR studies

4.6. NMR from other nuclei

4.7. Pulsed NMR spectrometers

4.8. 2-Dimensional NMR methods

4.9. Magnetic resonance imaging (MRI)

4.10. Summary

4.11. Exercises

4.12. Further reading

ch. 5 Mass spectrometry

5.1. Introduction

5.2. The mass spectrometry experiment

5.3. Measuring relative molecular and atomic masses

5.4. Mass spectrometry of molecules: a detailed example

5.5. Analysis of mass spectra

5.6. Applications of mass spectrometry

5.7. Summary

5.8. Exercises

5.9. Further reading

ch. 6 X-ray diffraction and related methods

6.1. Introduction

6.2. Introduction to the X-ray diffraction method

6.3. Crystallography

6.4. Determination of structure

6.5. Structural determination for molecules

6.6. Neutron diffraction

6.7. Electron diffraction-method and structure determination

6.8. Summary

6.9. Exercises

6.10. Further reading