IR Spectrum Calculator

Analyze Infrared Spectroscopy Data

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Functional Group Identifier

Identify functional groups from IR peaks

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Peak Pattern Analyzer

Analyze IR peak patterns and characteristics

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Spectrum Predictor

Predict IR peaks for given structures

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Understanding IR Spectroscopy

Basic Concepts

Key principles:

  • IR absorption
  • Molecular vibrations
  • Peak intensity
  • Band shapes

Common Regions

Spectral regions:

  • X-H stretching (3700-2700 cm⁻¹)
  • Triple bonds (2300-2100 cm⁻¹)
  • Double bonds (1900-1500 cm⁻¹)
  • Fingerprint (1500-600 cm⁻¹)

Peak Characteristics

Important features:

  • Peak position
  • Peak intensity
  • Peak width
  • Peak shape

Applications

Uses in chemistry:

  • Structure determination
  • Quality control
  • Reaction monitoring
  • Mixture analysis

Advanced Topics

Special cases:

  • Overtones
  • Combination bands
  • Fermi resonance
  • Hydrogen bonding

Essential IR Spectroscopy Rules

Wavenumber

ν = 1/λ (cm⁻¹)

Energy

E = hν = hc/λ

Hook's Law

ν = (1/2πc)√(k/μ)