a5c-ai FTIR Analyzer
Purpose
The FTIR Analyzer skill provides molecular characterization of nanomaterials through infrared spectroscopy, enabling identification of functional groups, surface modifications, and chemical bonding.
Capabilities
- ATR-FTIR for nanoparticle surfaces
- Functional group identification
- Surface modification verification
- Gas-phase FTIR for reactions
- Diffuse reflectance (DRIFTS)
- Spectral library searching
Usage Guidelines
FTIR Analysis
Sample Preparation
- Use ATR for nanoparticles
- Ensure good contact for ATR
- Consider KBr pellet for transmission
Spectrum Analysis
- Identify characteristic bands
- Compare to reference spectra
- Quantify using Beer-Lambert
Surface Chemistry
- Monitor ligand exchange
- Verify functionalization
- Detect degradation products
Process Integration
- Multi-Modal Nanomaterial Characterization Pipeline
- Nanomaterial Surface Functionalization Pipeline
Input Schema
{
"spectrum_file": "string",
"technique": "atr|transmission|drifts",
"analysis_type": "identification|quantification|comparison"
}
Output Schema
{
"identified_bands": [{
"wavenumber": "number (cm-1)",
"assignment": "string",
"intensity": "string (strong|medium|weak)"
}],
"functional_groups": ["string"],
"library_matches": [{
"compound": "string",
"match_score": "number"
}]
}