interpret-raman-spectrum

Installation
SKILL.md

Interpret Raman Spectrum

Analyze Raman scattering spectra to identify molecular vibrations, apply selection rules complementary to infrared absorption, and integrate Raman data with IR results for a comprehensive vibrational analysis.

When to Use

  • Analyzing samples that are difficult for IR (aqueous solutions, sealed containers, remote sensing)
  • Identifying symmetric vibrations that are weak or inactive in IR
  • Complementing IR data using the mutual exclusion principle for centrosymmetric molecules
  • Characterizing carbon materials (graphene, carbon nanotubes, diamond) via characteristic Raman bands
  • Analyzing inorganic compounds, minerals, or crystalline phases where Raman is often more informative than IR
  • Performing non-destructive, in situ analysis (no sample preparation required for many Raman measurements)

Inputs

  • Required: Raman spectrum data (Raman shift in cm-1 vs. intensity)
  • Required: Excitation laser wavelength (e.g., 532 nm, 633 nm, 785 nm, 1064 nm)
  • Optional: IR spectrum of the same sample for complementary analysis
  • Optional: Polarization data (parallel and perpendicular spectra for depolarization ratios)
Related skills
Installs
1
GitHub Stars
13
First Seen
Mar 18, 2026