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9701 AS Chemistry/ Topic 22 Analytical techniques/ 5 interactive simulations/ drag to rotate 3D scenes

Analytical techniques, made interactive

Five simulations covering Topic 22: why some bond vibrations absorb infrared and others do not, with the dipole drawn on the vibrating molecule; an infrared spectrum you can read peak by peak against the Data Booklet ranges; two spectra side by side so you can see which band tells the compounds apart; a mass spectrum with the molecular ion, the fragments and the M+1 peak that counts the carbons; and the M+2 patterns that give away chlorine and bromine.

1. Why bonds absorb infrared 3D · 22.1

Every bond vibrates, stretching and bending at a frequency set by the bond strength and the masses of the atoms. Infrared radiation of exactly that frequency is absorbed, but only if the vibration changes the dipole moment of the molecule. Pick a molecule and a vibration, watch the dipole arrow, and see which ones a spectrometer can detect.

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Molecule

Vibration

WAVENUMBER
INFRARED
DIPOLE MOMENT WHILE VIBRATING
Exam point: a vibration absorbs infrared only if it changes the dipole moment. That is why N₂ and O₂ are transparent to infrared while CO₂, water and methane are greenhouse gases. Wavenumber, in cm−1, is 1 divided by the wavelength; a bigger wavenumber means a higher frequency.

2. Reading an infrared spectrum 2D · 22.1

A spectrometer shines infrared through a sample and plots how much gets through at each wavenumber. Every dip is a bond absorbing. Hover over a dip to name it, click to keep the label, and switch on the Data Booklet ranges to see how a chemist matches a dip to a functional group.

Compound

SELECTED ABSORPTION
hover over a dip
DATA BOOKLET RANGE
Exam point: quote the wavenumber of the absorption, the bond it belongs to and the Data Booklet range, for example "a broad absorption at about 3300 cm−1 in the range 3200 to 3650 shows an O-H group in an alcohol". Below about 1500 cm−1 is the fingerprint region, unique to each compound but too crowded to assign bond by bond.

3. Telling compounds apart 2D · 22.1

The usual exam question gives two spectra, or two candidate structures, and asks which absorption settles it. Pick a pair and the two spectra are drawn one above the other with the deciding absorptions picked out. Some pairs are easy; one of them cannot be separated by infrared alone.

Pair of compounds

THE DECIDING ABSORPTION
TOP SPECTRUM
BOTTOM SPECTRUM
Exam point: say what is present in one spectrum and absent in the other, with wavenumbers. Infrared also follows a reaction: when ethanol is oxidised the broad O-H band at 3200 to 3650 shrinks and a C=O band near 1700 grows, so the spectrum tells you how far the reaction has gone.

4. The molecular ion and its fragments 2D · 22.2

In a mass spectrometer the molecule loses an electron to become the molecular ion, M+, and many of those ions then break into fragments. The peak at the highest m/z gives the relative molecular mass, the fragments show how the molecule was put together, and the tiny M+1 peak counts the carbon atoms. Click any bar to identify it.

Compound

Peaks

M+ AT m/z
M+1 HEIGHT / M HEIGHT
CARBON COUNT FROM M+1
Exam point: a fragment peak is written as the ion, for example [CH₃CO]+ at m/z 43, and the gap from M+ is the neutral piece lost: 15 for CH₃, 17 for OH, 29 for C₂H₅ or CHO, 45 for COOH. For M+1: n = 100 × (height of M+1) / (1.1 × height of M), because 1.1 % of carbon atoms are carbon-13.

5. Chlorine and bromine: the M+2 peak 2D · 22.2

Chlorine is three parts 35Cl to one part 37Cl, and bromine is half 79Br and half 81Br. Any ion containing a halogen therefore appears as a cluster of peaks two mass units apart, and the heights of the cluster say how many halogen atoms are present. Pick a compound, then read the probability grid that builds the ratio.

Compound

MOLECULAR ION CLUSTER
HEIGHT RATIO
WHY
Exam point: one chlorine gives M and M+2 in the ratio 3:1; one bromine gives M and M+2 of equal height; two chlorines give M, M+2 and M+4 in the ratio 9:6:1; two bromines give 1:2:1. Fragments that keep the halogen show the same pattern, fragments that have lost it do not.
TheLucidSTEM · Cambridge International AS Chemistry 9701 · Topic 22 Analytical techniques. 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: Analytical techniques

Five interactive simulations for Cambridge AS Level Chemistry 9701 topic 22 Analytical techniques: HCl, CO2, water and nitrogen vibrating in 3D with the dipole moment drawn so you can see which vibrations absorb infrared, an infrared spectrum plotter for seven organic compounds with every peak named and the Data Booklet wavenumber ranges overlaid, a side-by-side comparison that shows which absorption distinguishes an alcohol from an acid or an ester, a mass spectrum builder with the molecular ion, the main fragments and the M+1 peak used to count carbons, and the M+2 and M+4 isotope patterns for chlorine and bromine compounds explained with the probabilities.

Five simulations covering Topic 22: why some bond vibrations absorb infrared and others do not, with the dipole drawn on the vibrating molecule; an infrared spectrum you can read peak by peak against the Data Booklet ranges; two spectra side by side so you can see which band tells the compounds apart; a mass spectrum with the molecular ion, the fragments and the M+1 peak that counts the carbons; and the M+2 patterns that give away chlorine and bromine.

Analytical techniques is a free, browser-based simulation for Cambridge International AS & A Level Chemistry 9701 (topic 22 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 5 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: AS Level Chemistry 9701 topic 22.

How to use this simulation

  1. 1. Why bonds absorb infrared. Every bond vibrates, stretching and bending at a frequency set by the bond strength and the masses of the atoms.
  2. 2. Reading an infrared spectrum. A spectrometer shines infrared through a sample and plots how much gets through at each wavenumber.
  3. 3. Telling compounds apart. The usual exam question gives two spectra, or two candidate structures, and asks which absorption settles it.
  4. 4. The molecular ion and its fragments. In a mass spectrometer the molecule loses an electron to become the molecular ion, M+, and many of those ions then...
  5. 5. Chlorine and bromine: the M+2 peak. Chlorine is three parts 35Cl to one part 37Cl, and bromine is half 79Br and half 81Br.
  6. 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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