Contoh Soal Spektrometri Massa, IR, NMR
Contoh Soal Spektrometri Massa, IR, NMR
Contoh Soal Spektrometri Massa, IR, NMR
an Organic Molecule
1. Mass Spectrometry
– Sample is vaporized
– Sample is subjected to high-speed electrons, which ionizes the
sample (removes electrons and/or breaks bonds)
– Sample goes through electric field (acceleration)
– Sample goes through magnetic field (deflection)
– Sample goes to detector, which “sends” results to recorder.
• The highest mass recording on a mass spectrum usually corresponds
to the molar mass of the entire molecule.
– Other peaks represent molecular “fragments.”
Examples
1-propanol
2-propanol
What peaks would you expect to find for ethanol,
CH3CH2OH?
46, 31, 29, 17, 15
2. Infrared (IR) Spectroscopy – Most organic molecules
absorb infrared light at certain frequencies:
– Stretching bonds
– Bending bonds
• Allows us to identify the presence of certain functional
groups or bond types
• “Frequencies” are often given in wavenumbers –
measured in cm-1
Peaks of Interest
Bond Wavenumber
C-O (found in alcohols, ethers,
ν = 1000-1300 cm-1
and esters)
C=C ν = 1610-1680 cm-1
C=O (found in aldehydes,
ν = 1680-1750 cm-1
ketones, acids, esters)
C=C ν = 2070-2250 cm-1
ν = 2500-3300 cm-1 in acids
O-H ν = 3580-3670 cm-1 free
ν = 3230-3550 cm-1 in alcohols
N-H ν = 3350-3500 cm-1
3. 1
H NMR (nuclear magnetic resonance) spectroscopy
- Gives the chemical environment of all hydrogen
atoms in a molecule.
- Uses a strong magnetic field.
- the position of a peak represents “chemical shift,”
which is determined by the chemical environment, and
is measured in parts per million (ppm). In general, the
closer H atoms are to a functional group, the greater the
chemical shift.
- the area under each peak corresponds to the number
of hydrogen atoms in that particular environment.
Higher peaks represent more H atoms.
Example – A compound “X” contains 48.63 % C, 8.18 % H, and 43.19
% O by mass. The mass spectrum contains peaks at mass/charge
ratios of 29, 31, 45, and 74. The 1H NMR spectrum shows peaks at
1.3 ppm (relative area 3), 4.2 ppm (relative area 2) and 8.1 ppm
(relative area 1). The IR spectrum is shown below:
C C H C C
H H
OH H
OH
– Propagation – happens over and over again – chain becomes very long
H H H H
H H
C C H C C C C
H H
OH H H H
H H
H C C
OH H
• Termination – 2 radicals combine
H H H H H H H H
R C C C C R' R C C C C R'
OH H H H H H H H
R C N C C R' R C N O C C R'
H OH
H H H H
amine acid (poly) amide
(or alcohol) or polyester