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9701 A Level Chemistry/ Topic 37 Analytical techniques (A Level)/ 6 interactive simulations/ drag to rotate 3D scenes

Chromatography and NMR, made interactive

Six simulations covering Topic 37: a thin-layer plate where the solvent front rises, the spots separate and you measure Rf with a ruler, a gas-liquid chromatogram where peak areas give the percentage composition, a proton NMR spectrum builder with shifts, integration steps, splitting and the D₂O shake, an n+1 rule explorer built from Pascal's triangle, carbon-13 NMR with equivalent carbons coloured the same in 3D and matched to the peaks, and a final puzzle that combines mass spectrometry, infrared and NMR to identify an unknown compound.

1. Running a TLC plate 2D · 37.1

The plate is coated with silica, the stationary phase. The solvent, the mobile phase, creeps up it and carries each compound along for as long as it spends dissolved rather than stuck to the silica. Choose a solvent, run the plate, then drag the ruler to the middle of a spot (or click a spot) to measure how far it moved.

Mobile phase (solvent)

RULER ABOVE START LINE
SOLVENT FRONT MOVED
Rf = distance moved by spot / distance moved by solvent front
MATCH WITH A KNOWN COMPOUND
Exam point: measure from the start line to the centre of the spot and from the start line to the solvent front, and divide. Rf is always less than 1 and has no units. It changes with the solvent, so a compound is identified by running it next to known compounds in the same solvent on the same plate. Draw the start line in pencil, not ink, because ink would run with the solvent.

2. Gas-liquid chromatography 2D · 37.1

A small sample is injected into a heated column. The mobile phase is an inert carrier gas; the stationary phase is a liquid coated on the column walls. Each compound spends a different fraction of its time dissolved in the liquid, so each leaves the column at its own retention time. Inject a sample, then click a peak to read its area.

Sample

Column temperature

SELECTED PEAK
click a peak
RETENTION TIME
-
PEAK AREA
-
PERCENTAGE OF THE MIXTURE
-
Exam point: the retention time identifies a compound, because it is fixed for given conditions; the area under the peak is proportional to the amount of that compound, so percentage composition = area of the peak / total area × 100. Compare peak areas, not heights: a taller peak is not always a bigger one. The detector shown is a flame ionisation detector.

3. Building a proton NMR spectrum 2D · 37.2

Pick a compound. Each set of equivalent hydrogens (one environment) gives one group of peaks, at a chemical shift δ measured from TMS at 0. The blue step line is the integration, so a step 3 units high means 3 hydrogens; the number of lines in each group shows the hydrogens on neighbouring carbons. Choose an environment to see which hydrogens in the structure it comes from.

Compound

Environments (hover the spectrum or pick one)

PEAK GROUP
ENVIRONMENTS
HYDROGENS IN FORMULA
Exam point: for each peak group state the shift (and the type of H it fits from the Data Booklet), the relative area (the ratio of hydrogens) and the splitting (n + 1 lines means n hydrogens on the adjacent carbon atoms). TMS, (CH3)4Si, is the reference because its 12 hydrogens are all equivalent (one sharp peak), it is chemically inert, volatile so easily removed, and it absorbs at a lower δ than almost every other compound. Shaking with D2O swaps the hydrogen of an O-H or N-H for deuterium, which does not absorb, so that peak vanishes.

4. The n + 1 rule 2D · 37.2

A hydrogen feels the tiny magnetic fields of the hydrogens on the carbon atoms next to it. Each neighbouring hydrogen can point with or against the field, so each one splits every line in two. Choose the group you are looking at and how many hydrogens its neighbours carry, and watch the pattern grow row by row down Pascal's triangle.

Group being observed

Hydrogens on the carbon to the left

Hydrogens on the carbon to the right

NEIGHBOURING H (n)
LINES (n + 1)
NAME
LINE HEIGHTS
Exam point: n is the number of hydrogens on the adjacent carbon atoms, so n + 1 lines. Hydrogens in the same environment do not split each other, and an O-H or N-H hydrogen is not counted because it exchanges too quickly (it appears as a singlet). Examples: CH3CH2- gives a triplet for the CH3 and a quartet for the CH2; (CH3)2CH- gives a doublet for the CH3 groups and a septet for the CH.

5. Carbon-13 NMR 3D + 2D · 37.2

In a carbon-13 spectrum there is one peak for each different carbon environment, and no splitting. Carbons that are equivalent by symmetry give a single peak, so the number of peaks can be less than the number of carbon atoms. Pick a molecule: equivalent carbons share a colour in the 3D model and in the spectrum below it. Choose an environment to circle it.

drag to rotate · wheel to zoom

Molecule

Carbon environments

CARBON ATOMS
PEAKS
SELECTED ENVIRONMENT
Exam point: C-C 0 to 50, C-O 50 to 90, C=C and aromatic C 110 to 160, C=O 160 to 220 (shifts in ppm from TMS). To count peaks, find the symmetry first: the three CH3 groups of (CH3)3COH are equivalent, and the ring of methylbenzene has only four ring environments, not six. Unlike proton NMR, peak heights in carbon-13 spectra are not a reliable count of carbons.

6. Identify the unknown 2D · 37.2

Real analysis uses all the evidence together. Mass spectrometry gives the relative molecular mass, infrared names the functional groups, and NMR shows how the carbon skeleton is put together. Reveal the clues one at a time, then choose which of the four isomers fits all of them.

Compound

CLUES SO FAR

Which structure fits?

SOLVED ON THE FIRST TRY
Method: (1) Mr from the molecular ion gives the molecular formula; (2) infrared gives the groups (O-H, C=O, C≡N); (3) the number of carbon-13 peaks gives the symmetry; (4) proton NMR integration, shift and splitting fit the pieces together. Check every candidate against every clue, because the isomers have the same Mr.
TheLucidSTEM · Cambridge International A Level Chemistry 9701 · Topic 37 Analytical techniques (A Level). Every scene runs in the browser; drag to rotate 3D scenes, wheel to zoom. Values are standard textbook data rounded for teaching.

About this lab: Chromatography and NMR

Six interactive simulations for Cambridge A Level Chemistry 9701 topic 37 Analytical techniques: a TLC plate with a rising solvent front, separating spots and a draggable ruler to measure Rf against known compounds, a gas-liquid chromatogram where clicking a peak gives its area and the percentage composition, a proton NMR spectrum builder for eight compounds with chemical shift, integration steps, n+1 splitting and the D2O exchange test, an n+1 rule explorer that builds each multiplet from Pascal's triangle, carbon-13 NMR where equivalent carbons are coloured the same in a 3D model and matched to the peaks, and an unknown-compound puzzle combining the molecular ion, infrared bands and NMR data.

Six simulations covering Topic 37: a thin-layer plate where the solvent front rises, the spots separate and you measure Rf with a ruler, a gas-liquid chromatogram where peak areas give the percentage composition, a proton NMR spectrum builder with shifts, integration steps, splitting and the D₂O shake, an n+1 rule explorer built from Pascal's triangle, carbon-13 NMR with equivalent carbons coloured the same in 3D and matched to the peaks, and a final puzzle that combines mass spectrometry, infrared and NMR to identify an unknown compound.

Chromatography and NMR is a free, browser-based simulation for Cambridge International AS & A Level Chemistry 9701 (topic 37 Analytical techniques). The course is assessed in Paper 1 (Multiple Choice (AS)), Paper 2 (AS Structured), Paper 3 (Advanced Practical), Paper 4 (A Level Structured), Paper 5 (Planning, Analysis, Evaluation). Syllabus for examination in 2025-2027. There are 6 tabs, each a self-contained experiment with its own controls and live readings, and nothing to install: it runs on a laptop, tablet or classroom projector.

Syllabus coverage

Full syllabus map: A Level Chemistry 9701 topic 37.

How to use this simulation

  1. 1. Running a TLC plate. The plate is coated with silica, the stationary phase.
  2. 2. Gas-liquid chromatography. A small sample is injected into a heated column.
  3. 3. Building a proton NMR spectrum. Pick a compound.
  4. 4. The n + 1 rule. A hydrogen feels the tiny magnetic fields of the hydrogens on the carbon atoms next to it.
  5. 5. Carbon-13 NMR. In a carbon-13 spectrum there is one peak for each different carbon environment, and no splitting.
  6. 6. Identify the unknown. Real analysis uses all the evidence together.
  7. The buttons at the end of the tab strip give the scene the whole window (Full screen, Hide controls) and, on a dark stage, a projector-friendly palette (Light scene). Many scenes also have drag handles: drag them to change the set-up directly.

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