SPECTROSCOPIC

IDENTIFICATION OF
ORGANIC COMPOUNDS
TOPIC – 11.3
To understand
◦ The degree of unsaturation or index of hydrogen
deficiency (IHD) can be used to determine from a molecular
Objectives of the
formula the number of rings or multiple bonds in a molecule. topic
◦ Mass spectrometry (MS), proton nuclear magnetic resonance
spectroscopy (1 H NMR), and infrared spectroscopy (IR) are
techniques that can be used to help identify and to determine the
structure of compounds.
◦ For the lesson:
◦ To predict the structure by IHD
◦ Recap the concepts of mass spectrometer
Analytical techniques
◦QUALITATIVE ANALYSIS: the
detection of the presence but not the
quantity of a substance in a mixture.
◦QUANTITATIVE ANALYSIS: the
measurement of the quantity of a particular
substance in a mixture.
◦STRUCTURAL ANALYSIS: a
description of how the atoms is arranged in
molecular structures; for example, the
determination of the structure of a naturally
occurring or artificial product
STRUCTURAL
ANALYSIS
Many instruments are
available to provide
structural analysis,
but they generally
work by analyzing the
effect of different
forms of energy on the
substance analyzed.
SPECTROSCOPY

 Infrared spectroscopy is used to identify the bonds in a molecule.

 Mass spectrometry is used to determine relative atomic and molecular
masses..
 Nuclear magnetic resonance spectroscopy is used to show the chemical
environment of certain isotopes (hydrogen, carbon, phosphorus, and
fluorine) in a molecule and so gives vital structural information
Electromagnetic spectrum form the basis for structural analysis
Spectrum
 When a light radiation of sunlight
can pass through a prism and then
allowed on a photographic screen,
distinct colours were resolved
(VIBGYOR).
 The phenomenon is known as
dispersion, the arrangement of
seven colours is known as
SPECTRUM.
 The instrument used to obtain
spectrum is known as spectroscope
and the branch that deals with the
study of spectrum is spectroscopy.
Mass
spectrometry
Determining the molecular
mass and atomic mass of the
compound
The technique also provides
useful clues about the
molecular structure.
Mass Spectrometry
 FRAGMENTATION
Ionization –gaseous sample is bombarded by a stream of high-
energy electrons from an electron gun, which ‘knock’ an electron
from an atom. This produces a positive ion also bring about the
break up of molecule into smaller fragments
Fragments pattern gives evidence for arrangement of atoms in
molecule
Larger mass peak corresponds to parent or molecular uni-valet ion
Charged species are detected
EXAMPLE
MASS SPECTRUM OF
ETHANOL
FRAGMENTATION
PROCESS
FRAGMENT
MASS CHART
Don’t forget to include the
positive charge on the ions
detected by the mass
spectrometer when identifying
different fragments
PROBLEM
PROBLEM