H3 Chemistry 9813 · Study focus: H3 Chemistry: Predict characteristic IR absorptions from structure

H3 Chemistry: Predict characteristic IR absorptions from structure

Start from the governing chemical model, test it against evidence, then transfer the reasoning to an unfamiliar case.

Your success criteria

  • Predict characteristic IR absorptions from structure
  • Use named chemical evidence.
  • Transfer the governing reason to an unfamiliar case.
Diagnose this objective

Turn structure into a spectral forecast

Ethanoic acid contains C=O, O–H and C–O bonds; predict strong C=O near 1710 cm⁻¹ and very broad acid O–H at 2500–3300 cm⁻¹.

Predictions should prioritise diagnostic regions rather than promise one resolved peak for every bond.

Explore this H3 topic and lesson sequence.

Characteristic prediction

A characteristic-band prediction names the bond/group, approximate supplied range, shape or strength where useful, and important absent features.

The fingerprint region can be forecast qualitatively but complex coupled vibrations are not assigned one-for-one.

  1. Propanone predicts strong C=O near 1700 and no broad O–H. Ethanol predicts broad alcohol O–H 3200–3600 and C–O around 1000–1300 but no C=O.

  2. Methyl ethanoate predicts ester C=O near 1740 and C–O bands, with no acid O–H envelope.

H3 Chemistry: Predict characteristic IR absorptions from structure: move from the evidence or givens, through the governing Chemistry idea, to a conclusion that stays inside the selected course boundary.
H3 Chemistry: Predict characteristic IR absorptions from structure evidence representation. Separate fixed predicted traces for acid, ketone and nitrile prevent a shared-spectrum substitution and expose expected absences.
Ethanoic acid forecastEthanoic acidtransmittance / %wavenumber / cm⁻¹ (4000 → 500)4000300020001000500O–H 2500–3300 broadC=O 1710C–O 1210–1320Absent: no C≡NPropanone forecastPropanonetransmittance / %wavenumber / cm⁻¹ (4000 → 500)4000300020001000500alkyl C–H <3000C=O 1715Absent: no O–H; no C≡NPropanenitrile forecastPropanenitriletransmittance / %wavenumber / cm⁻¹ (4000 → 500)4000300020001000500alkyl C–H <3000C≡N 2250 sharpAbsent: no O–H; no C=O
Present and absent forecast bands
CompoundPresent ranges / shapeStructural bondAbsent ranges
ethanoic acid2500–3300 very broad; 1710 strong; 1210–1320O–H; C=O; C–Ono nitrile 2250
propanone1715 strong; alkyl C–H below 3000C=O; C–Hno broad O–H
propanenitrile2250 sharp; alkyl C–H below 3000C≡N; C–Hno C=O; no O–H

Text alternative: Each forecast has an adjacent text list of present and absent ranges, strength/shape and the exact structural bond responsible.

Compare structures before drawing traces

Propanone predicts strong C=O near 1700 and no broad O–H. Ethanol predicts broad alcohol O–H 3200–3600 and C–O around 1000–1300 but no C=O.

Methyl ethanoate predicts ester C=O near 1740 and C–O bands, with no acid O–H envelope.

Forecast ethanoic acid

List acid O–H as very broad 2500–3300 cm⁻¹ and C=O as strong near 1710 cm⁻¹.

Add C–O in the fingerprint region but do not call every CH3 vibration diagnostic.

  • Predict the two most diagnostic ethanoic-acid features and one useful additional band.
Open the feedback checkpoint after attempting
  • Credit acid O–H, carbonyl and C–O with sensible ranges/shapes.

Forecast propanone

The only oxygen is carbonyl oxygen; there is no O–H bond.

Predict strong C=O around 1715 cm⁻¹, alkyl C–H below 3000 cm⁻¹ and explicit absence of broad O–H.

  • Write a three-row propanone prediction table.
Open the feedback checkpoint after attempting
  • Rows must include C=O present, sp3 C–H present and O–H absent.

Start the diagnostic and follow its feedback

Forecast a nitrile

Propanenitrile contains C≡N and alkyl C–H but no carbonyl or O–H.

Predict a sharp C≡N band near 2250 cm⁻¹ and state the two absent regions.

  • Predict a minimal diagnostic spectrum for CH3CH2CN.
Open the feedback checkpoint after attempting
  • Credit C≡N near 2250, C–H below 3000, absent C=O and absent broad O–H.

Bonds do not map one-to-one onto peaks

A molecule's normal modes combine atomic motions; equivalent or coupled bonds need not yield separately resolved bands.

Predict diagnostic absorptions from functional groups and symmetry, not one peak per drawn bond.

  • Repair: “Ethanol has six bonds, so its IR spectrum must have six peaks.”
Open the feedback checkpoint after attempting
  • Reject bond counting; predict broad O–H, C–O and C–H regions while acknowledging many coupled fingerprint modes.

Forecast before seeing data

Complete twelve structure-to-band checks, then unseen 2-hydroxypropanone and different chloropropanenitrile re-test.

Next objective: connect IR-active greenhouse gases at /learning/h3-infrared-greenhouse-gases-lesson.html.

  • Draw an annotated predicted trace for propanone and ethanoic acid.
Open the feedback checkpoint after attempting
  • The two traces must differ in O–H envelope and carbonyl position/context; axes run 4000→500 cm⁻¹.