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    Chemical Analysis

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    Miral Alasbahi
    The document describes using spectroscopy techniques like IR, MS, 13C-NMR and 1H-NMR to identify 11 unknown substances. It provides the order and steps to take which includes using IR for functional groups, MS for molecular mass, NMR for carbon/hydrogen environments and proposing a name and structure.

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    Chemical Analysis

    Uploaded by

    Miral Alasbahi
    7 views25 pages
    The document describes using spectroscopy techniques like IR, MS, 13C-NMR and 1H-NMR to identify 11 unknown substances. It provides the order and steps to take which includes using IR for functional groups, MS for molecular mass, NMR for carbon/hydrogen environments and proposing a name and structure.

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    Chemical-Analysis

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    The document describes using spectroscopy techniques like IR, MS, 13C-NMR and 1H-NMR to identify 11 unknown substances. It provides the order and steps to take which includes using IR for functional groups, MS for molecular mass, NMR for carbon/hydrogen environments and proposing a name and structure.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    7 views25 pages

    Chemical Analysis

    Uploaded by

    Miral Alasbahi
    The document describes using spectroscopy techniques like IR, MS, 13C-NMR and 1H-NMR to identify 11 unknown substances. It provides the order and steps to take which includes using IR for functional groups, MS for molecular mass, NMR for carbon/hydrogen environments and proposing a name and structure.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    of 25

    A-Level Chemical Analysis

    Use a combination of IR Spectroscopy, Mass Spectrometry,


    13
    C-NMR Spectrometry and 1H-NMR Spectrometry to identify
    the following 11 unknown substances

    For each substance the spectra are given in the following order:
    1. IR
    2. MS
    3. 13C-NMR
    4. 1H-NMR

    You may find that you need to look multiple times at the spectra and go
    back and forth between them. Sometimes peaks overlap and some are
    easier to read than others.

    However the following order of steps is an effective approach to start from:

    1. Use the IR spectra to identify any possible functional groups


    2. Use the MS data to determine the relative molecular mass of the unknown
    substance
    3. Subtract the mass of the functional group/s from the molar mass
    4. Use this value to determine the number of carbon atoms and then the
    number of hydrogen atoms
    5. Use the 13C-NMR to determine the number of carbon environments
    6. Use the 1H-NMR to determine the number of hydrogen environments
    7. Using the information from the previous 6 steps propose a name and
    structure for the unknown chemical

    You will certainly need your data sheet/booklet (the Cambridge International
    Exams data booklet here has all the data you need if you don’t have yours to
    hand). http://www.cie.org.uk/images/164870-2016-specimen-data-booklet.pdf
    (blank page intentional so that double sided printing gives you 1 sheet of A4 per substance)
    SUBSTANCE 1 (EXAMPLE)

    The group here


    at 3300
    indicates an
    alcohol

    If we take 17 (the alcohol, -OH) from 60


    we get 43

    So we could have 3 carbons (36) and 7


    hydrogens (43) as well at the –OH

    Why 3? Well 4 would be 48 (too much)


    and 2 would be 24 (too little / too many
    hydrogens)

    The molar
    mass is 60
    We have 3 lines so 3 different carbon
    environments for our 3 carbon atoms

    Use the data booklet to give you an


    idea of potential carbon environments

    H-NMR is often the hardest to make


    1

    out the detail

    It looks like we have

     a quartet
     2 triplets
     a singlet

    The only molecule that fits


    all these criteria from the 4
    spectra is propan-1-ol
    SUBSTANCE 2

    The molar peak is hard to see here – these are all proper laboratory spectra and
    you will need to be flexible with your thinking

    Spectra you receive in the exam will always be much clearer and less ambiguous

    As long as you use the MS to work out the number of carbons it won’t matter if
    you, for example, used 59 or 60
    SUBSTANCE 3
    SUBSTANCE 4
    SUBSTANCE 5
    SUBSTANCE 6
    SUBSTANCE 7
    SUBSTANCE 8
    SUBSTANCE 9
    SUBSTANCE 10
    SUBSTANCE 11
    Answers
    1. Propan-1-ol (example)
    2. Propan-2-ol
    3. Butan-1-ol
    4. Ethanoic acid
    5. Propanoic acid
    6. Propanone
    7. 2-methyl-2-butene
    8. 1-chlorobutane
    9. Pentane
    10. Methyl ethanoate
    11. Ethanal

    All spectra from:

    SDBSWeb : http://sdbs.db.aist.go.jp (National Institute of Advanced Industrial


    Science and Technology, 14.03.2017)

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