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Home / Innovation / Clariant Analytical Sciences / Structure Elucidation
CAS
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Structure Elucidation

Identification of molecular structure and composition of main products, analysis of  byproducts and contaminants

Technical Competences
Case Studies
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Identification and Composition Analysis 

  • Combining the instruments enables the analysis of polymer - or small molecule compositions regarding the molecular structure of main components, byproducts and contaminants even in low concentrations. GPC fractionation can be used additionally to split up mixtures and analyze the individual components.

Determination of Molecular Structures

  • Combination of HPLC or GC with high resolution mass spectrometry, including fragmentation experiments to elucidate the molecular structure
  • NMR/IR-spectroscopy deliver qualitative and quantitative information of polymers or small molecules
  • Pyrolysis-GCMS and MALDI-MS for insoluble materials

Innovation Enablers

  • Confirmation of successful syntheses as well as troubleshooting in early-stage innovations
  • Comprehensive analysis of polymers and small molecules to understand composition and structure-activity relationship
  • Toxicological analysis, unwanted by-products in low concentrations to enable registration process
  • Analysis of market products to protect own IP and develop new, innovative and sustainable solutions

Structure Elucidation Techniques

  • Mass spectrometry
    • GC-MS
    • Pyrolysis-GCMS
    • HPLC-HRMS, GC-HRMS
    • MALDI-TOF
  • IR-Spectroscopy
  • NMR-Spectroscopy
    • qNMR (quantitative NMR)
    • 1H-, 13C-, 14N-, Si-, P-, F-NMR
    • 2D-NMR (DOSY, COSY, HSQC, etc.)

     

Structure Elucidation Technical Sheets

  • Technical Sheet No 007 GCMS Coupling 2024 EN (0.22 MB)
  • Technical Sheet No 013 2D NMR and qNMR 2024 EN (0.20 MB)
  • Technical Sheet No 014 High Resolution Mass Spectrometry 2024 EN (0.29 MB)
  • Technical Sheet No 015 NMR Spectroscopy 2024 EN (0.31 MB)
  • Case Study Identification of biodegradation products 2025 EN (0.63 MB)
  • Case Study Polymer recycling 2025 EN (0.58 MB)
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