Combined Techniques
Specification reference 4.2.4 (a)–(g)
Quick Notes
- IR spectroscopy → tells you about functional groups from characteristic absorptions; the region <1500 cm−1 is the fingerprint region for confirming a specific molecule.
- Mass spectrometry → gives M+ (molecular ion) for Mr, plus fragmentation peaks (parts of the structure) and a small M+1 peak from 13C.
- In exams you must be able to use both at the same time: IR to say what groups are present, MS to confirm the overall mass and support the structure with fragments.
Infrared Spectroscopy (IR) is covered in detail here and Mass Spectrometry is covered in detail here.
IR vs MS — what each gives you
| Technique | What you read | What it tells you | What it cannot do alone |
|---|---|---|---|
| IR spectroscopy | Absorptions at characteristic wavenumbers (cm−1); fingerprint region <1500 cm−1 | Identifies functional groups (e.g. broad O–H, sharp C=O) | Does not give the exact molecular mass; different molecules can share similar IR patterns |
| Mass spectrometry | M+ (molecular ion) for Mr; fragment peaks; small M+1 peak | Confirms molecular mass; fragments suggest pieces of the structure; M+1 hints at carbon count | Does not directly tell you which functional groups are present |
How to use both together (simple 3-step approach)
- Start with IR: list the key absorptions → propose functional groups (e.g. broad O–H, sharp C=O).
- Check MS M+: confirm the Mr matches your proposed structure; note M+1 if relevant.
- Use fragments: match any strong fragment peaks to sensible pieces of your proposed molecule. If given, use the IR fingerprint region for final confirmation.
Checklist for answers
- Quote the IR absorptions and name the functional groups.
- State the M+ value and give the Mr from MS (mention M+1 if useful).
- Use one or two fragment peaks to support your structure.
- If provided, say the IR fingerprint region matches the known compound.
- Finish with one clear, justified structure.