Agent skill

ftir-analyzer

Fourier Transform Infrared spectroscopy skill for molecular identification and surface functional group analysis

Stars 514
Forks 31

Install this agent skill to your Project

npx add-skill https://github.com/a5c-ai/babysitter/tree/main/library/specializations/domains/science/nanotechnology/skills/ftir-analyzer

Metadata

Additional technical details for this skill

phase
6
domain
science
category
spectroscopy
priority
high
specialization
nanotechnology
tools libraries
[
    "OMNIC",
    "OPUS",
    "PerkinElmer Spectrum software"
]

SKILL.md

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

  1. Sample Preparation

    • Use ATR for nanoparticles
    • Ensure good contact for ATR
    • Consider KBr pellet for transmission
  2. Spectrum Analysis

    • Identify characteristic bands
    • Compare to reference spectra
    • Quantify using Beer-Lambert
  3. Surface Chemistry

    • Monitor ligand exchange
    • Verify functionalization
    • Detect degradation products

Process Integration

  • Multi-Modal Nanomaterial Characterization Pipeline
  • Nanomaterial Surface Functionalization Pipeline

Input Schema

json
{
  "spectrum_file": "string",
  "technique": "atr|transmission|drifts",
  "analysis_type": "identification|quantification|comparison"
}

Output Schema

json
{
  "identified_bands": [{
    "wavenumber": "number (cm-1)",
    "assignment": "string",
    "intensity": "string (strong|medium|weak)"
  }],
  "functional_groups": ["string"],
  "library_matches": [{
    "compound": "string",
    "match_score": "number"
  }]
}

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