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    Molecular Orbital Theory

    Uploaded by

    Muhammad Anas Bilal
    The document introduces molecular orbital theory (MOT) which was proposed by F.H. Mulliken and F. Hund to explain magnetic behavior of molecules like O2 that was found to be paramagnetic contrary to predictions of valence bond theory. The key postulates of MOT are that 1) atomic orbitals of similar energies and symmetry combine to form molecular orbitals, 2) molecular orbitals are influenced by multiple nuclei, 3) number of molecular orbitals equals number of combining atomic orbitals with bonding and antibonding pairs formed, 4) bonding orbitals are lower in energy and more stable, 5) electron distribution in molecules is defined by molecular orbitals similar to atomic orbitals, and 6) molecular orbitals

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    © All Rights Reserved
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    Molecular Orbital Theory

    Uploaded by

    Muhammad Anas Bilal
    306 views28 pages
    The document introduces molecular orbital theory (MOT) which was proposed by F.H. Mulliken and F. Hund to explain magnetic behavior of molecules like O2 that was found to be paramagnetic contrary to predictions of valence bond theory. The key postulates of MOT are that 1) atomic orbitals of similar energies and symmetry combine to form molecular orbitals, 2) molecular orbitals are influenced by multiple nuclei, 3) number of molecular orbitals equals number of combining atomic orbitals with bonding and antibonding pairs formed, 4) bonding orbitals are lower in energy and more stable, 5) electron distribution in molecules is defined by molecular orbitals similar to atomic orbitals, and 6) molecular orbitals

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    The document introduces molecular orbital theory (MOT) which was proposed by F.H. Mulliken and F. Hund to explain magnetic behavior of molecules like O2 that was found to be paramagnetic contrary to predictions of valence bond theory. The key postulates of MOT are that 1) atomic orbitals of similar energies and symmetry combine to form molecular orbitals, 2) molecular orbitals are influenced by multiple nuclei, 3) number of molecular orbitals equals number of combining atomic orbitals with bonding and antibonding pairs formed, 4) bonding orbitals are lower in energy and more stable, 5) electron distribution in molecules is defined by molecular orbitals similar to atomic orbitals, and 6) molecular orbitals

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    306 views28 pages

    Molecular Orbital Theory

    Uploaded by

    Muhammad Anas Bilal
    The document introduces molecular orbital theory (MOT) which was proposed by F.H. Mulliken and F. Hund to explain magnetic behavior of molecules like O2 that was found to be paramagnetic contrary to predictions of valence bond theory. The key postulates of MOT are that 1) atomic orbitals of similar energies and symmetry combine to form molecular orbitals, 2) molecular orbitals are influenced by multiple nuclei, 3) number of molecular orbitals equals number of combining atomic orbitals with bonding and antibonding pairs formed, 4) bonding orbitals are lower in energy and more stable, 5) electron distribution in molecules is defined by molecular orbitals similar to atomic orbitals, and 6) molecular orbitals

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 28

    vdnt.

    in/medicalv

    Link Given in “Description Box”


    Introduction To
    Molecular Orbital Theory
    (MOT)
    MOLECULAR ORBITAL THEORY(MOT)

    Introduced by F.Hund and R.S. Mulliken

    VBT considered O2 as diamagnetic. Experimentally O2 was found to be


    paramagnetic. Magnetic behavior of this molecule was explained by
    this theory.
    combine
    Atomic orbital Molecules
    (Atoms)

    Molecular orbital
    Postulates of
    Molecular Orbital Theory
    (MOT)
    POSTULATES OF MOT

    1. The electrons in molecules are present in various molecular orbital as the


    electron of atom are present in various atomic orbital.
    POSTULATES OF MOT

    2. The atomic orbitals of comparable energies and proper symmetry combine


    to form molecular orbital.

    1s 1s • This means that 1s can combine


    with only 1s.
    • 1s cannot combine with 2s.
    • Reason : 2s has higher energy.

    1s 2s
    POSTULATES OF MOT

    2. The atomic orbitals of comparable energies and proper symmetry combine


    to form molecular orbital.
    POSTULATES OF MOT

    3. An electron in an atomic orbital is influenced by one nucleus, but in


    molecular orbital it is influenced by two or more nuclei.

    So, atomic orbital was monocentric but Molecular orbitals are polycentric
    POSTULATES OF MOT

    4) The number of molecular orbital formed is equal to the number of combining


    atomic orbitals. When two atomic orbitals combine, two molecular orbitals are
    formed. One is known as bonding molecular orbital while the other is called
    antibonding molecular orbital.
    POSTULATES OF MOT

    5)The bonding molecular orbital has lower energy and hence greater stability
    than the corresponding antibonding molecular orbital.
    POSTULATES OF MOT

    6)Just as the electron probability distribution around a nucleus in an atom is


    given by an atomic orbital, the electron probability distribution around a group
    of nuclei in a molecule is given by a molecular orbital.
    POSTULATES OF MOT

    7)The molecular orbitals like atomic orbitals are filled in accordance with the
    Aufbau principle, obeying the Pauli’s exclusion principle and the Hund’s rule.
    Types of
    M.O. and
    Energy Levels
    Energy of Molecular Orbital
    S Orbitals Forming sigma bond
    P Orbitals Forming Sigma bond

    P Orbitals Forming Pi bond


    σ

    π π ≤

    σ
    π π σ1 σ*1 σ2 σ*2 ∏ ∏
    σ ∏ ∏ σ*2
    σ

    σ
    σ

    π π

    σ1 σ*1 σ2 σ*2 σ ∏ ∏
    π π ∏ ∏ σ*2
    σ

    σ
    Let’s Practice Once More :-
    vdnt.in/medicalv

    Link Given in “Description Box”

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