| name | ftir-analyzer |
| description | Fourier Transform Infrared spectroscopy skill for molecular identification and surface functional group analysis |
| allowed-tools | ["Read","Write","Glob","Grep","Bash"] |
| metadata | {"specialization":"nanotechnology","domain":"science","category":"spectroscopy","priority":"high","phase":6,"tools-libraries":["OMNIC","OPUS","PerkinElmer Spectrum software"]} |
| graph | {"domains":["domain:nanotechnology"],"skillAreas":["skill-area:mathematical-reasoning","skill-area:physics-simulation","skill-area:data-analysis"],"workflows":["workflow:experiment-design"],"roles":["role:research-engineer"]} |
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"
}]
}
