SPECTROSCOPY
2.1 Introduction
The identification and structural determination of organic compounds
require modern analytical techniques. Among these, spectroscopy is one
of the most powerful tools.
Spectroscopy enables the study of atomic and molecular structure in
complex organic compounds by analyzing their interaction with
electromagnetic radiation.
2.2 Classical vs Modern Methods of Identification
2.2.1 Classical Methods (Elemental Analysis)
Classical methods determine the composition of a compound.
(a) Qualitative Elemental Analysis
• Determines which elements are present in the compound.
• Example: Detection of C, H, N, S, halogens.
(b) Quantitative Elemental Analysis
• Determines percentage or ratio of elements present.
• Used to calculate:
○ Empirical Formula (simplest whole number ratio)
○ Molecular Formula (actual number of atoms)
2.2.2 Modern Method – Spectroscopy
Modern technology provides direct information about molecular
structure through spectroscopy.
2.3 Definition of Spectroscopy
Spectroscopy is defined as:
The study of the interaction between matter and electromagnetic
radiation as a function of wavelength (λ) or frequency (ν).
2.4 Electromagnetic Radiation
Electromagnetic radiation (EMR) consists of oscillating electric and
magnetic fields traveling through space.
Energy of Radiation
The energy of electromagnetic radiation is given by:
Since:
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Where:
• E = Energy
• h Planck’s constant
• ν Frequency
• c = Speed of light
• λ Wavelength
Thus,
•
•
Higher frequency corresponds to higher energy, and shorter wavelength
corresponds to higher energy.
2.5 Interaction of Electromagnetic Radiation with Matter
When electromagnetic radiation interacts with matter, energy transfer
may occur. This leads to transitions between energy levels.
The following processes may take place:
1. Absorption
2. Emission
3. Transmission
4. Scattering
2.5.1 Absorption
• Occurs when matter absorbs radiation.
• Electron transitions from ground state (Eg) to excited state (Ee).
• Forms the basis of absorption spectroscopy.
2.5.2 Emission
• Occurs when excited electrons return to lower energy levels.
• Energy is released in the form of radiation.
• Forms the basis of emission spectroscopy.
2.5.3 Transmission
• Radiation passes through the substance without interaction.
2.5.4 Scattering
• Radiation is deflected in different directions.
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• Radiation is deflected in different directions.
• Raman spectroscopy is based on scattering.
2.6 Types of Spectroscopy
2.6.1 Absorption Spectroscopy
• Measures absorption of radiation as a function of wavelength or
frequency.
• Examples:
○ Infrared (IR) spectroscopy
○ UV-Visible spectroscopy
Applications:
• Identification of functional groups
• Structural analysis
2.6.2 Emission Spectroscopy
• Measures wavelengths of photons emitted by atoms or molecules.
• Occurs during transition from higher to lower energy levels.
Applications:
• Elemental analysis
• Study of atomic structure
2.6.3 Scattering Spectroscopy
• Based on scattering of radiation.
• Example:
○ Raman spectroscopy
Applications:
• Molecular vibrational analysis
• Structural determination
2.7 Advantages of Spectroscopy
1. Requires very small amount of sample (milligram quantity
sufficient).
2. Rapid and less time-consuming.
3. Provides detailed structural information.
4. Highly accurate and sensitive.
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