Determination of Molecular Structure by Spectroscopy (VCE SSCE Chemistry): Flashcards

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Determination of Molecular Structure by Spectroscopy
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Info from mass spectrometry (MS)

Molecular mass & fragmentation pattern info

What IR spectroscopy identifies

Functional groups in molecule

What proton NMR spectroscopy reveals

H atom environments & connectivity

What Carbon-13 NMR spectroscopy shows

Carbon atom environments

Molecular ion peak in mass spectrum

Highest m/zm/z value

IR absorption wavenumber for O-H bond

Around 3400 cm13400 \text{ cm}^{-1}

IR absorption wavenumber for C=O bond

16501750 cm11650-1750 \text{ cm}^{-1}

NMR splitting pattern rule (nn = neighbors)

Number of lines = n+1n+1

Reference samples in spectroscopy

Known standards for comparison

Criterion for pure sample in purity test

No additional/missing peaks vs reference

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