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Indra Yudhipratama
Spectro(photo)metry in Nutshell
Mass Spectrometry
Mass Spectrometry
 Basic function
 To measure the mass of a molecule
 Only separate and detect charged ions
Mass spectrum of
ethanol
Mass Spectrometry
 Isotopic signatures
 Corresponding to % abundance of the elements
Elements Isotope % abundance
H 1H 99.985
C 12C 98.89
13C 1.11
N 14C 99.634
O 16O 99.762
Cl 35Cl 75.77
37Cl 24.23
Br 79Br 50.69
81Br 49.31
Mass spectrum of
1-bromobutane
What is spectroscopy?
 The interaction between light and molecules and
what we can learn from it.
 Structural determination
What is spectroscopy?
 Spectroscopy techniques in organic chemistry:
 Mass spectrometry
 Infrared (IR) spectroscopy
 Nuclear magnetic resonance (NMR) spectroscopy
IR Spectroscopy
 Related to the vibrational energy
levels
 Strength of an IR absorption
depends on dipole moment
changes during vibration
 Larger the change of dipole, the
stronger absorption will be
Only one stretch frequency of CO2: antisymmetric stretch
antisymmetric stretch
symmetric stretch
IR is used to assign functional group in the molecules
NMR Spectroscopy
 Exploiting the spin states of
nucleus of an the atom.
 Common nuclei in for
organic chemistry:
 1H, 13C
 Operating in radiowave
frequency
How to read NMR spectrum
How to read NMR spectrum
 The position of signal (chemical shift, δ)
 Relative to standard (TMS, tetramethylsilane)
 Related to the environment of the nucleus
 ‘shielding’ of the nucleus by electron
Spectrophotometry in Nutshell
How to read NMR spectrum
 Number of peaks (signal)
 Indicating the non-equivalent environment.
 Related to the symmetry of the molecules
How to read NMR spectrum
 Integration of peaks
 Mainly in 1H-NMR
 Peak integration: area under the peak
 Corresponding to the ratio of H atom in the
molecule.
1
1
1
1
1 1
1
CHCl3
3
How to read NMR spectrum
Peak multiplicity in 1H-NMR
 Interaction with the neighbouring nuclei
 The spins can couple with one another
 The splitting pattern: (2nI + 1)
 n: equivalent nuclei
 I: spin nuclei (for 1H = ½)
 No splittings are seen between equivalent nuclei
Spectrophotometry in Nutshell
What’s Compound X?
The elemental analysis of X is C = 64.85%, H = 6.35%, and O.
More information and practice questions can be
found here:
https://chem-is-
you.blogspot.co.id/search/label/Characterisati
on%20of%20Organic%20Compounds

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Spectrophotometry in Nutshell

  • 3. Mass Spectrometry  Basic function  To measure the mass of a molecule  Only separate and detect charged ions Mass spectrum of ethanol
  • 4. Mass Spectrometry  Isotopic signatures  Corresponding to % abundance of the elements Elements Isotope % abundance H 1H 99.985 C 12C 98.89 13C 1.11 N 14C 99.634 O 16O 99.762 Cl 35Cl 75.77 37Cl 24.23 Br 79Br 50.69 81Br 49.31
  • 6. What is spectroscopy?  The interaction between light and molecules and what we can learn from it.  Structural determination
  • 7. What is spectroscopy?  Spectroscopy techniques in organic chemistry:  Mass spectrometry  Infrared (IR) spectroscopy  Nuclear magnetic resonance (NMR) spectroscopy
  • 8. IR Spectroscopy  Related to the vibrational energy levels  Strength of an IR absorption depends on dipole moment changes during vibration  Larger the change of dipole, the stronger absorption will be
  • 9. Only one stretch frequency of CO2: antisymmetric stretch antisymmetric stretch symmetric stretch
  • 10. IR is used to assign functional group in the molecules
  • 11. NMR Spectroscopy  Exploiting the spin states of nucleus of an the atom.  Common nuclei in for organic chemistry:  1H, 13C  Operating in radiowave frequency
  • 12. How to read NMR spectrum
  • 13. How to read NMR spectrum  The position of signal (chemical shift, δ)  Relative to standard (TMS, tetramethylsilane)  Related to the environment of the nucleus  ‘shielding’ of the nucleus by electron
  • 15. How to read NMR spectrum  Number of peaks (signal)  Indicating the non-equivalent environment.  Related to the symmetry of the molecules
  • 16. How to read NMR spectrum  Integration of peaks  Mainly in 1H-NMR  Peak integration: area under the peak  Corresponding to the ratio of H atom in the molecule.
  • 18. How to read NMR spectrum Peak multiplicity in 1H-NMR  Interaction with the neighbouring nuclei  The spins can couple with one another  The splitting pattern: (2nI + 1)  n: equivalent nuclei  I: spin nuclei (for 1H = ½)  No splittings are seen between equivalent nuclei
  • 20. What’s Compound X? The elemental analysis of X is C = 64.85%, H = 6.35%, and O.
  • 21. More information and practice questions can be found here: https://chem-is- you.blogspot.co.id/search/label/Characterisati on%20of%20Organic%20Compounds