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The C=O stretching frequency aldehydes and ketones

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  • The C=O stretching frequencyaldehydes and ketones

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Figure IR-14. Butanal, neat liquid, thin film: CH3CH2CH2CHOAliphatic Aldehyde

  • Figure IR-35. 5-Hexene-2-one, neat liquid: CH2=CH2CH2CH2COCH3Aliphatic Ketone

  • The C=O stretching frequencyesters

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Aliphatic EsterFigure IR-33. Methyl acetate in 0.1 mm NaCl cells: CH3CO2CH3

  • CCl4neat

  • Figure IR-34. Vapor and liquid spectra of ethyl n-hexanoate: CH3CH2CH2CH2CH2CO2CH2CH3 Aliphatic Ester

  • The C=O stretching frequencyaliphatic acids

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Aliphatic AcidFigure IR-26. The liquid, vapor and CCl4 solnspectra of hexanoic acid: CH3(CH2)4 CO2H

  • The C=O stretching frequencyaliphatic amides

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Amide I 1662 cm-1Amide II; 1634 cm-1KBr pellet

  • Figure IR-21. N-Methyl acetamide, neat liquid; thin film: CH3CONHCH3 Secondary Amide

  • Figure IR-23. N,N-Dimethylacetamide, neat liquid; thin film: CH3CON(CH3)2Tertiary Amide

  • The C=O stretching frequencyanhydrides

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Figure IR-36. Propionic anhydride, neat liquid: CH3CH2CO2COCH2CH3Anhydrides

  • The C=O stretching frequencycarboxylates

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • C=O in an acid 1700 cm-1;C-O-C stretch 1300 to 1000 cm-1,say in ethers 1150 cm-1. Averaging a C=O with a C-O-C results in: (1700 + 1150)/2 = 1425 cm-1. Naively, we would estimate a bond and a half would have a frequency of 1425 cm-1

  • 1410 cm-11560 cm-1(1560+ 1410)/2 = 1485 cm-1

  • The C=C bond stretch

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Figure IR-9. 1-Heptene; neat sample, thin film: H2C=CH-CH2CH2CH2CH2CH3

  • The C=C bond stretch when next to a heteroatom

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Figure IR-40. 2,5-Dimethoxy2,5-dihydrofuran, neat liquid:

  • Figure IR-41. 2,3-Dihydrofuran, neat liquid:

  • The cumulative C=C bond stretch

  • The NO2 stretching frequency

  • A summary of the principle infrared bands and their assignments. R is an aliphatic group.

    C=O

    aldehydes

    R(C=O)H

    1740-1720

    S(sh)

    14

    ketones

    R(C=O)R

    1730-1710

    S(sh)

    35

    esters

    R(CO2)R

    1750-1735

    S(sh)

    33, 34

    carboxylic acids

    RCO2H

    1720-1680

    S(sh)

    26,27,30

    amides (Amide I)

    RCONH2, RCONHR

    1670-1640

    S(sh)

    19, 21

    (Amide II)

    RCONH2

    1650-1620

    S(sh)

    19, 21

    (Amide II)

    RCONHR

    1550

    S(sh)

    19, 21

    amide

    RCONR2

    1650-1620

    S(sh)

    23

    anhydrides

    R(CO2CO)R

    1820, 1750

    S, S(sh)

    36

    carboxylates

    R(CO2)-, M+

    1600, 1400

    S,S(sh)

    42

    C=C

    olefins

    R2C=CR2

    1680-1640

    W(sh)

    10, 39, 40

    R2C=CH2

    1600-1675

    M(sh)

    9, 35

    R2C=C(OR)R

    1600-1630

    S(sh)

    41

    -NO2

    nitro groups

    RNO2

    1550, 1370

    S,S(sh)

    28

  • Aromatic RingsRing breathing motions1600-15851500-1400Both often appear as doublets

  • Benzene, neat, thin film:

  • 4-Chloro-2-nitrophenol, KBr pellet:


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