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    Infra Red

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    Dennianas
    Infrared (IR) spectroscopy measures the vibrational frequencies of bonds in a molecule to determine its structure. Different types of bonds and functional groups absorb IR radiation at characteristic wavenumber ranges. For example, carbonyl (C=O) stretches absorb around 1710 cm-1, while O-H stretches are seen around 3300 cm-1. The IR spectrum is like a molecular "fingerprint", although some signals can be ambiguous. Comparing an unknown sample's spectrum to reference data can be used to identify compounds. While IR alone cannot determine complex structures, it can indicate the presence of common functional groups.

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    Infra Red

    Uploaded by

    Dennianas
    27 views7 pages
    Infrared (IR) spectroscopy measures the vibrational frequencies of bonds in a molecule to determine its structure. Different types of bonds and functional groups absorb IR radiation at characteristic wavenumber ranges. For example, carbonyl (C=O) stretches absorb around 1710 cm-1, while O-H stretches are seen around 3300 cm-1. The IR spectrum is like a molecular "fingerprint", although some signals can be ambiguous. Comparing an unknown sample's spectrum to reference data can be used to identify compounds. While IR alone cannot determine complex structures, it can indicate the presence of common functional groups.

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    Spectrophotometry

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    Infrared (IR) spectroscopy measures the vibrational frequencies of bonds in a molecule to determine its structure. Different types of bonds and functional groups absorb IR radiation at characteristic wavenumber ranges. For example, carbonyl (C=O) stretches absorb around 1710 cm-1, while O-H stretches are seen around 3300 cm-1. The IR spectrum is like a molecular "fingerprint", although some signals can be ambiguous. Comparing an unknown sample's spectrum to reference data can be used to identify compounds. While IR alone cannot determine complex structures, it can indicate the presence of common functional groups.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    27 views7 pages

    Infra Red

    Uploaded by

    Dennianas
    Infrared (IR) spectroscopy measures the vibrational frequencies of bonds in a molecule to determine its structure. Different types of bonds and functional groups absorb IR radiation at characteristic wavenumber ranges. For example, carbonyl (C=O) stretches absorb around 1710 cm-1, while O-H stretches are seen around 3300 cm-1. The IR spectrum is like a molecular "fingerprint", although some signals can be ambiguous. Comparing an unknown sample's spectrum to reference data can be used to identify compounds. While IR alone cannot determine complex structures, it can indicate the presence of common functional groups.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 7

    19/02/2014

    Introduction

    Infrared Spectroscopy

    Spectroscopy is an analytical technique which helps determine structure It destroys little or no sample The amount of light absorbed by the sample is measured as wavelength is varied

    Types of Spectroscopy
    Infrared (IR) spectroscopy measures the bond vibration frequencies in a molecule and is used to determine the functional group Mass spectrometry (MS) fragments the molecule and measures the masses Nuclear magnetic resonance (NMR) spectroscopy detects signals from hydrogen atoms and can be used to distinguish isomers Ultraviolet (UV) spectroscopy uses electron transitions to determine bonding patterns
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    Electromagnetic Spectrum
    Examples: X rays, microwaves, radio waves, visible light, IR, and UV Frequency and wavelength are inversely proportional c = ln, where c is the speed of light Energy per photon = hn, where h is Plancks constant
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    19/02/2014

    The Spectrum and Molecular Effects

    The IR Region
    Just below red in the visible region Wavelengths usually 2.5-25 mm More common units are wavenumbers, or cm-1, the reciprocal of the wavelength in centimeters (4000-400 cm-1) Wavenumbers are proportional to frequency and energy

    =>
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    Molecular Vibrations
    Light is absorbed when radiation frequency = frequency of vibration in molecule Covalent bonds vibrate at only certain allowable frequencies
    Associated with types of bonds and movement of atoms
    Baseline

    IR Spectrum

    Absorbance/ Peak

    Vibrations include stretching and bending

    No two molecules will give exactly the same IR spectrum (except enantiomers) Simple stretching: 1600-3500 cm-1 Complex vibrations: 400-1400 cm-1, called the fingerprint region
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    19/02/2014

    Interpretation
    Looking for presence/absence of functional groups Correlation tables
    Wade Ch. 12 and Appendices 2A and 2B Lehman OP-36 and back cover

    Carbon-Carbon Bond Stretching


    Stronger bonds absorb at higher frequencies:
    C-C C=C CC 1200 cm-1 1660 cm-1 2200 cm-1 (weak or absent if internal)

    A polar bond is usually IR-active A nonpolar bond in a symmetrical molecule will absorb weakly or not at all
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    Conjugation lowers the frequency:


    isolated C=C conjugated C=C aromatic C=C 1640-1680 cm-1 1620-1640 cm-1 approx. 1600 cm-1
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    Carbon-Hydrogen Stretching
    Bonds with more s character absorb at a higher frequency
    sp3 C-H, just below 3000 cm-1 (to the right) sp2 C-H, just above 3000 cm-1 (to the left) sp C-H, at 3300 cm-1

    An Alkane IR Spectrum

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    19/02/2014

    An Alkene IR Spectrum

    An Alkyne IR Spectrum

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    O-H and N-H Stretching


    Both of these occur around 3300 they look different cm-1, but

    An Alcohol IR Spectrum

    Alcohol O-H, broad with rounded tip Secondary amine (R2NH), broad with one sharp spike Primary amine (RNH2), broad with two sharp spikes No signal for a tertiary amine (R3N)

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    19/02/2014

    An Amine IR Spectrum

    Carbonyl Stretching
    The C=O bond of simple ketones, aldehydes, and carboxylic acids absorb around 1710 cm-1 Usually, its the strongest IR signal Carboxylic acids will have O-H also Aldehydes have two C-H signals around 2700 and 2800 cm-1
    17 18

    A Ketone IR Spectrum

    An Aldehyde IR Spectrum

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    19/02/2014

    O-H Stretch of a Carboxylic Acid


    This O-H absorbs broadly, 2500-3500 cm-1, due to strong hydrogen bonding

    Variations in C=O Absorption


    Conjugation of C=O with C=C lowers the stretching frequency to ~1680 cm-1 The C=O group of an amide absorbs at an even lower frequency, 1640-1680 cm-1 The C=O of an ester absorbs at a higher frequency, ~1730-1740 cm-1 Carbonyl groups in small rings (5 Cs or less) absorb at an even higher frequency

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    An Amide IR Spectrum

    Carbon - Nitrogen Stretching


    C - N absorbs around 1200 cm-1 C = N absorbs around 1660 cm-1 and is much stronger than the C = C absorption in the same region C N absorbs strongly just above 2200 cm-1. The alkyne C C signal is much weaker and is just below 2200 cm-1
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    19/02/2014

    A Nitrile IR Spectrum

    Summary of IR Absorptions

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    Strengths and Limitations


    IR alone cannot determine a structure Some signals may be ambiguous The functional group is usually indicated The absence of a signal is definite proof that the functional group is absent Correspondence with a known samples IR spectrum confirms the identity of the compound
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    http://www.aist.go.jp/RIODB/SDBS/cgibin/direct_frame_top.cgi?lang=eng

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