1ry year
Pharmaceutical Chemical Analysis
It is the process of identification or quantification of one or more substances in a given sample of pharmaceutical interest (active
pharmaceutical compounds or excipient or contaminants or drug metabolites).
Spectroscopy is the study of the interaction between matter and Energy of electromagnetic radiation (EMR)
electromagnetic radiation (EMR). Electromagnetic radiation is the radiation which propagates in
It is an instrumental technique for analysis and structural alternating electric force and the related magnetic field.
elucidation of compounds. E α 1/ λ Energy is inversely proportional to wave length
Many spectra types can be measured with little or no sample loss. E α ν Energy is directly proportional to frequency
Spectroscopic identification of organic pharmaceuticals was done
using the following techniques (complementary):
• Ultraviolet/Visible spectroscopy (UV/VIS)
• Infrared spectroscopy (IR)
• Nuclear Magnetic Resonance spectroscopy (NMR)
• Mass Spectrometry (MS).
Function of each spectroscopy :
U.V Spectro identify conjugated systems
I.R Spectro identify functional groups "OH,NH2,COOH,C=C,…."
Mass spectro identify molecular weight & molecular formula
N.M.R identify arrangement of H&C atoms and their number
Mechanism :
radiation source compound absorb energy response
• Exposure of organic molecules to high energy radiations such as
gamma rays and X-rays can lead to their ionization.
Response of U.V Spectro : Electronic transition from ground state • Exposure of organic molecules to ultraviolet light leads to
to excited state electronic transitions .
• Exposure of organic molecules to IR radiation leads to
Response of IR Spectro : vibrational transitions
vibrational transitions .
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Ultraviolet and Visible Spectroscopy
• UV/Vis spectroscopy provides information about compounds with
conjugated double bonds σ-σ* transition → ∆ E is high, thus the transition requires short λ
• It can be also used for qualitative and quantitative determination ex: In CH3—CH3 σ-σ* transition requires λ max = 135 nm
of organic pharmaceuticals. N.B. Any transition that requires λ < 200 nm is out of scope (need
• UV-VIS region of EMR : 200 - 800nm. vacuum UV)
• When U.V or visible radiation passes through compound .., electrons π-π* transition: → ∆ E is lower than σ-σ*, thus the transition
requires a longer λ for example, π-π*
π CH2 ═ CH2 (λ max = 175 nm)
in ground state absorb certain quantity of energy
nergy and transmitted to
n-π* transition: → ∆ E is lower than π-π*, thus the transition
excited state requires a longer λ, for example, n-π*
n of (CH3)2C=O (λ max = 279 nm).
n-σ* transition: n-σ* of H-O-H
H requires EMR with λ max = 180 nm
The most important electronic transitions are π-π* π and n-π*,
why?
Because both of them can absorb in the UV/VIS region of EMR
radiation.
possible electronic transitions : ↑conjugation
conjugation ↑ absorption λ max
β-Carotene , contains 11 conjugated double bonds , λ max of its
π-π* = 465 nm.
Only organic compounds with π electrons can produce UV/Vis spectra.
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β-carotene
carotene absorbs in visible region (blue color) and we see the
complementary color (orange color of carrot).
Lycopene , contains 11 conjugated double bonds , λ max of its π-π*
= 502 nm.
Lycopene absorbs in visible region (green color) and we see the
complementary color (red color of tomato).
• A UV spectrum is obtained if UV light is absorbed “200-400
“200 nm”
• A visible spectrum is obtained if visible light is absorbed”400-800
absorbed nm”
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