Location via proxy:   [ UP ]  
[Report a bug]   [Manage cookies]                
Scribd Logo
Upload

Welcome to Scribd!

  • 231 views

    NMR Spectros

    Uploaded by

    hareesh13h
    NMR spectroscopy uses radio frequency energy to cause changes in the spin of atomic nuclei. Proton NMR is commonly used to determine the structure of organic molecules containing hydrogen atoms. The NMR spectrum provides information on the number of distinct hydrogen environments in a molecule, the chemical environment of each hydrogen, and the molecular structure. Chemical shifts are measured in parts per million (ppm) relative to a tetramethylsilane standard.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PPT, PDF, TXT or read online from Scribd

    NMR Spectros

    Uploaded by

    hareesh13h
    231 views29 pages
    NMR spectroscopy uses radio frequency energy to cause changes in the spin of atomic nuclei. Proton NMR is commonly used to determine the structure of organic molecules containing hydrogen atoms. The NMR spectrum provides information on the number of distinct hydrogen environments in a molecule, the chemical environment of each hydrogen, and the molecular structure. Chemical shifts are measured in parts per million (ppm) relative to a tetramethylsilane standard.

    Original Description:

    nmr

    Original Title

    NMR Spectroscopy

    Copyright

    © Attribution Non-Commercial (BY-NC)

    Available Formats

    PPT, PDF, TXT or read online from Scribd

    Did you find this document useful?

    Is this content inappropriate?

    NMR spectroscopy uses radio frequency energy to cause changes in the spin of atomic nuclei. Proton NMR is commonly used to determine the structure of organic molecules containing hydrogen atoms. The NMR spectrum provides information on the number of distinct hydrogen environments in a molecule, the chemical environment of each hydrogen, and the molecular structure. Chemical shifts are measured in parts per million (ppm) relative to a tetramethylsilane standard.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PPT, PDF, TXT or read online from Scribd
    Download as ppt, pdf, or txt
    231 views29 pages

    NMR Spectros

    Uploaded by

    hareesh13h
    NMR spectroscopy uses radio frequency energy to cause changes in the spin of atomic nuclei. Proton NMR is commonly used to determine the structure of organic molecules containing hydrogen atoms. The NMR spectrum provides information on the number of distinct hydrogen environments in a molecule, the chemical environment of each hydrogen, and the molecular structure. Chemical shifts are measured in parts per million (ppm) relative to a tetramethylsilane standard.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PPT, PDF, TXT or read online from Scribd
    Download as ppt, pdf, or txt
    of 29

    NMR Spectroscopy

    Presented by, Sreekumar P.P

    NMR
    NMR uses energy in the radio frequency range. This energy is too low to cause changes in electron energy levels or in the vibrations of molecules. NMR can cause changes in the spin of particles in the nucleus of some atoms.

    Protons, neutrons and electrons spin on their axes in either an up or down direction. For this technique, the movement of electrons is not relevant. In many nuclei, the number of nucleons is even; the spins are paired and cancel each other out. In atoms like 1H and 13C, there is an overall spin.

    In the presence of a strong magnetic field, the tiny magnetic field due to spinning charged particles aligns to be either with or against the magnetic field.

    More nucleons will be in the lower energy state aligned with the magnetic field. A nucleon can absorb a quantum of energy in the radio frequency range and align against the magnetic field. It emits a radio frequency when it drops back to its original position.

    Proton NMR
    The most common for of NMR is based on the hydrogen-1 (1H), nucleus or proton. It can give information about the structure of any molecule containing hydrogen atoms. Complex biochemical molecules have a large number of carbon atoms so NMR using the 13C isotope is often also used.

    The difference in energy of the two spin states depends on : The nucleus being screened ( 1H or 13C) The other atoms around the nucleus. These can shield the nucleus and change the amount of energy needed to change its spin. (H in CH3 will absorb a different frequency from H in CH2)

    To standardise measurements on different NMR instruments, a standard reference sample is used in each experiment. This is tetramethylsilane (TMS).

    This is a symmetrical and inert molecule. All H atoms have the same chemical environment and a single peak is produced from this molecule.

    The difference in energy needed to change the spin state in the sample is compared to TMS and is called the CHEMICAL SHIFT. The chemical shift of TMS is defined as zero The symbol d represents chemical shift and is measured in ppm. The chemical shift scale is measured from right to left on the spectrum.

    The NMR Spectrophotometer

    Instrumentation

    Main features of a basic NMR include:

    A radio transmitter coil that produces a short powerful pulse of radio waves A powerful magnet that produces strong magnetic fields The sample is placed in a glass tube that spins so the test material is subject to uniform magnetic field.

    Solid samples are dissolved in a solvent that will not give a signal

    A radio receiver coil that detects radio frequencies emitted as nuclei relax to a lower energy level A computer that analyses and record the data

    Proton NMR Low resolution spectra


    Proton NMR is used to identify the number of chemically distinct hydrogen environments there are in a molecule. In low resolution proton NMR, the number of peaks is equal to the number of different bonding environments experience by the hydrogen nuclei in the molecule.

    Proton NMR spectra


    Low resolution spectrum of ethanol

    Proton NMR High Resolution Spectra

    The NMR spectrum shows more detail. High resolution spectras show the J splitting of the peaks. The number of peaks caused by splitting equals n + 1, where n is the number of H atoms on the neighbouring atom i.e.:

    CH splits the signal from hydrogens attached to adjacent atoms into two peaks CH2 splits the signal from hydrogens attached to adjacent atoms into three peaks CH3 splits the signal from hydrogens attached to adjacent atoms into four peaks

    High Resolution NMR spectrum of ethanol

    What the NMR spectrum tells us


    The number of peaks tell how many different proton environments are in the molecule. The peak area ratio shows the relative numbers of protons in each environment. The chemical shift (measured in ppm) helps to identify each of the different environments and provides information about the functional groups to which the hydrogen is attached. J splitting tells us how many H atoms are on the neighbouring atom according to the rule n+1. This supports the chemical shift data.

    1H

    Proton NMR Spectroscopy - Sample Spectra; Ethanol

    3J

    Coupling; n+1 = triplet

    Coupling; n+1 = quartet

    3J

    Understanding & Identifying Molecular Structure

    NMR Spectroscopy
    1H

    NMR - Sample Spectra; CH3CHClCOOH


    3J

    Coupling; n+1 = doublet

    3J

    Coupling; n+1 = quartet

    Understanding & Identifying Molecular Structure

    NMR Spectroscopy
    Sample Question
    Q. How could 1H NMR be used to distinguish between the two following isomers?

    H2 C H3C C H2
    1-nitropropane

    H NO2 H3C C

    NO2

    CH3

    2-nitropropane

    Understanding & Identifying Molecular Structure

    NMR Spectroscopy
    Sample Question
    Q. How could 1H NMR be used to distinguish between the two following isomers?

    2.
    1.

    H2 C H3C C 3. H2
    1-nitropropane

    1. Triplet.

    NO2

    2. Sextet.

    3. Triplet.

    Understanding & Identifying Molecular Structure

    NMR Spectroscopy
    Sample Question
    Q. How could 1H NMR be used to distinguish between the two following isomers? 2. H NO2 1. Doublet. 1. C 2. Septet. 3. CH3 H3C 3. Doublet. 2-nitropropane

    13C

    NMR Spectroscopy

    Carbon-13 is a naturally occurring isotope of carbon that has nuclear spin. It is used in NMR spectroscopy to identify different carbon atoms environments within a molecule. Chemical shifts range from 0ppm to 200ppm The peaks in the spectrum are a single line produced for each different carbon atom environment. Compare the two spectra for ethanol.

    13C

    NMR spectroscopy

    Steps for analysing NMR spectra


    1. 2. 3.

    4.
    5. 6.

    Look at the number of peak sets and hence the number of different environments The chemical shift for each peak set The relative number of protons in each peak set (from the relative peak area) The number of fine peaks each major peak set is split into Determine the relative number of hydrogens in each environment The protons responsible for each peak set and the carbon to which they are bonded

    You might also like