, Structure Determination Techniques in
Organic Chemistry
• In order to fully identify the structure of an organic
compound the chemist needs to know:
– the molecular formula of the compound (CxHyOzXwNv)
– the functional groups present (alcohol, carboxylic acid etc)
– to have information about the spatial arrangement of all
atoms. ( where are the functional groups positioned)
• The physical and chemical properties of the compound
will also be needed in order to confirm its structure and
to fully describe the compound.
, Chemical Identification
• Chemical Test • Comparison of
– Elemental Analysis Physical Properties:
• Burn the compound
and measure the – Boiling Point
amounts of CO2, H2O – Melting Point
and other components
that are produced to – Density
determine the – Optical rotation
empirical formula.
• Used today as a test of – Appearance
purity of compounds – Odour
that have already been
identified.
, Identifying the molecular formula of any compound involves
three steps:
• 1. Qualitative elemental analysis (find out what kinds of
atoms are present in the molecule) Is the compound
including oxygen, hydrogen, sulfur, nitrogen etc.
• 2. Quantitative elemental analysis (determine the relative
number of the different kinds of atoms in the molecule)
• 3. Molecular weight determination (find out how heavy the
molecule is, molar mass)
• Steps 2 and 3 combined will allow determination of the
molecular formula.
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