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    Kinetic Isotope Effect

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    ''Maniell Dyms Bermejo Dulay
    The document defines and differentiates between primary and secondary kinetic isotope effects. A primary kinetic isotope effect occurs when replacing one atom in a reactant with a heavier isotope, which decreases the reaction rate. A secondary kinetic isotope effect involves an isotope whose bond is not directly broken in the reaction but whose bond characteristics change along the reaction path, also slowing the reaction rate of the lighter atom variant. The kinetic isotope effect is calculated as the ratio of rate constants for reactions involving light and heavy isotopes and can be explained by the greater energy needed to break bonds of heavier isotopes.

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    Kinetic Isotope Effect

    Uploaded by

    ''Maniell Dyms Bermejo Dulay
    104 views14 pages
    The document defines and differentiates between primary and secondary kinetic isotope effects. A primary kinetic isotope effect occurs when replacing one atom in a reactant with a heavier isotope, which decreases the reaction rate. A secondary kinetic isotope effect involves an isotope whose bond is not directly broken in the reaction but whose bond characteristics change along the reaction path, also slowing the reaction rate of the lighter atom variant. The kinetic isotope effect is calculated as the ratio of rate constants for reactions involving light and heavy isotopes and can be explained by the greater energy needed to break bonds of heavier isotopes.

    Original Description:

    Inorganic Chemistry report by M. Dulay

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    The document defines and differentiates between primary and secondary kinetic isotope effects. A primary kinetic isotope effect occurs when replacing one atom in a reactant with a heavier isotope, which decreases the reaction rate. A secondary kinetic isotope effect involves an isotope whose bond is not directly broken in the reaction but whose bond characteristics change along the reaction path, also slowing the reaction rate of the lighter atom variant. The kinetic isotope effect is calculated as the ratio of rate constants for reactions involving light and heavy isotopes and can be explained by the greater energy needed to break bonds of heavier isotopes.

    Copyright:

    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
    Download as pptx, pdf, or txt
    104 views14 pages

    Kinetic Isotope Effect

    Uploaded by

    ''Maniell Dyms Bermejo Dulay
    The document defines and differentiates between primary and secondary kinetic isotope effects. A primary kinetic isotope effect occurs when replacing one atom in a reactant with a heavier isotope, which decreases the reaction rate. A secondary kinetic isotope effect involves an isotope whose bond is not directly broken in the reaction but whose bond characteristics change along the reaction path, also slowing the reaction rate of the lighter atom variant. The kinetic isotope effect is calculated as the ratio of rate constants for reactions involving light and heavy isotopes and can be explained by the greater energy needed to break bonds of heavier isotopes.

    Copyright:

    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
    Download as pptx, pdf, or txt
    of 14

    Kinetic Isotope Effect

    Objectives
     Define Kinetic Isotope Effect
     Differentiate primary and secondary isotope effect
     Learn the calculation for Kinetic Isotope Effect
    Isotopes Isotopes are specified by the
    mass number.

    One of two or more


    species of atoms of
    a chemical
    elementwith the
    same atomic
    number
    Potential Energy Surface

    The harmonic
    oscillator
    approximation
    is used to explain
    the
    vibrations of a
    diatomic
    molecule.
    Primary Kinetic
    Isotope Effect

     a decrease in
    the rate of a
    chemical
    reaction upon
    replacement of
    one atom in a
    reactant by a
    heavier isotope
    Secondary Kinetic
    Isotope Effect

     the bond involving


    the isotope is not
    broken to form
    product
     the character (e.g.
    force constant)
    changes along the
    reaction path
    Light atom reacts
    more slowly
    Secondary Kinetic
    Isotope Effect

     the bond involving


    the isotope is not
    broken to form
    product
     the character (e.g.
    force constant)
    changes along the
    reaction path
    Light atom reacts
    more slowly
    Kinetic Isotope Effect

    It is the change in the reaction rate of


    a chemical reaction when one of
    the atoms in the reactants is replaced
    by one of its isotopes
     KIE = the ratio of rate constants
    for the reactions involving the light
    (kL) and the heavy (kH) isotopically
    substituted reactants:
    Calculations
    The energy of the vibrational levels
    of a vibration (i.e., a bond) in a
    molecule is given by
    Calculations

    where we assume that the


    molecule is in its ground state and
    we can compare zero-point
    vibrational energies,
    Using the harmonic oscillator
    approximation the fundamental
    vibrational frequency is
    Calculations

    where we assume that the


    molecule is in its ground state and
    we can compare zero-point
    vibrational energies,
    The Arrhenius equation is used to
    determine reaction rates and activation
    energies and since we are interested in
    the change in rate of reactions with
    different isotopes, this equation is very
    important, Calculations
    Summary
    The greater the mass the more energy is
    needed to break bonds.
    A heavier isotope forms a stronger bond. The
    resulting molecule has less of a tendency to
    dissociate.
    The increase in energy needed to break the
    bond results in a slower reaction rate and the
    observed isotope effect.
    References

    • https://www.britannica.com/science/isotope
    • http://www.funscience.in/images/StudyZone/Physics/Radioactivit
    yAndNuclearReactions/RepresentationOfAtomicSymbolOfCarbon.p
    ng
    • https://chem.libretexts.org/Core/Physical_and_Theoretical_Che
    mistry/Quantum_Mechanics/06._One_Dimensional_Harmonic_Oscil
    lator/Kinetic_Isotope_Effects
    • https://www.youtube.com/watch?v=ko8zE4tZmVI

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