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    TMS1122 Lec 5 3 9 2020

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    This document provides an overview of electron-dot structures, the octet rule, molecular shapes determined by VSEPR theory, and molecular orbital theory. It defines electron-dot structures and uses examples to illustrate the octet rule and exceptions. It describes how the VSEPR model predicts molecular geometry by minimizing electron pair repulsion around a central atom. Finally, it introduces molecular orbital theory, explaining how atomic orbitals combine to form molecular orbitals and the relationship between orbital overlap and bond strength.

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    TMS1122 Lec 5 3 9 2020

    Uploaded by

    sanjuna
    43 views28 pages
    This document provides an overview of electron-dot structures, the octet rule, molecular shapes determined by VSEPR theory, and molecular orbital theory. It defines electron-dot structures and uses examples to illustrate the octet rule and exceptions. It describes how the VSEPR model predicts molecular geometry by minimizing electron pair repulsion around a central atom. Finally, it introduces molecular orbital theory, explaining how atomic orbitals combine to form molecular orbitals and the relationship between orbital overlap and bond strength.

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    TMS1122 lec 5 3 9 2020

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    This document provides an overview of electron-dot structures, the octet rule, molecular shapes determined by VSEPR theory, and molecular orbital theory. It defines electron-dot structures and uses examples to illustrate the octet rule and exceptions. It describes how the VSEPR model predicts molecular geometry by minimizing electron pair repulsion around a central atom. Finally, it introduces molecular orbital theory, explaining how atomic orbitals combine to form molecular orbitals and the relationship between orbital overlap and bond strength.

    Copyright:

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

    TMS1122 Lec 5 3 9 2020

    Uploaded by

    sanjuna
    This document provides an overview of electron-dot structures, the octet rule, molecular shapes determined by VSEPR theory, and molecular orbital theory. It defines electron-dot structures and uses examples to illustrate the octet rule and exceptions. It describes how the VSEPR model predicts molecular geometry by minimizing electron pair repulsion around a central atom. Finally, it introduces molecular orbital theory, explaining how atomic orbitals combine to form molecular orbitals and the relationship between orbital overlap and bond strength.

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    © All Rights Reserved
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    of 28

    Chemistry of Materials

    TMS 1122
    Faculty of Technology, University of Ruhuna

    Mrs. D.N. Liyanage


    Department of Engineering Technology

    1
    Learning Objectives of Lecture - 5

    At the end of the lecture you be able to


    • Understand Electron-Dot Structures
    • Explain Octet rule
    • Identify Molecular Shapes: The VSEPR Model and
    Molecular orbital Theory
    Electron-Dot Structures
    • The most convenient ways to picture the sharing of electrons between
    atoms in covalent or polar covalent bonds is to use electron-dot structures,
    or Lewis structures .
    • An electron-dot structure represents an atom’s valence electrons by dots
    and indicates by the placement of the dots how the valence electrons are
    distributed in a molecule.
    For example,
    • A hydrogen molecule, for example, is written showing a pair of dots
    between the hydrogen atoms,
    • Indicating that the hydrogen share the pair of electrons in a covalent bond:
    • Two chlorine atoms form a chlorine molecule,

    • The Lewis structure indicates that each Cl atom has three pairs
    of electrons that are not used in bonding (called lone pairs) and
    one shared pair of electrons (written between the atoms).
    1) Identify the central atom of the molecule. This is the least electronegative atom (See
    back of periodic table for values) or the only one able to form more than one bond.

    2.) Assign the valence electrons to each atom as dictated by the periodic table placing one
    electron at each compass direction and then pairing them only after the first four until
    you have place all of the atom’s valence electrons. (See the Roman numeral above the
    group/column it is in.)

    3.) Arrange the remaining atoms around the central atom and join them to the central atom
    by a single bond. The more electronegative atoms are typically farther away from the
    center and attaching hydrogen last is advised.

    4.) Lone electrons (not lone pairs) indicate an ability to form more covalent bonds, resulting in
    either double or triple bonds. Their presence or the lack of a full octet on any atom indicates there is
    a better Lewis structure
    Octet rule
    • The octet rule dictates that atoms are most stable when their valence
    shells are filled with eight electrons.
    • The other halogen molecules (F2, Br2, I2, and At2) form bonds like those
    in the chlorine molecule:
    • One single bond between atoms and three lone pairs of electrons per
    atom.
    • This allows each halogen atom to have a noble gas electron
    configuration. The tendency of main group atoms to form enough bonds
    to obtain eight valence electrons is known as the octet rule.

    • A general rule, an atom shares as many of its valence-shell electrons as


    possible, either until it has no more to share or until it reaches an octet
    configuration.
    Exceptions to the Octet Rule

    • An ion, atom, or a molecule containing an unpaired valence electron is


    called a free radical. These species disobey the octet rule.
    • Elements such as lithium, helium, and hydrogen obey the duet rule.
    • The transition elements do not obey the octet rule. The valence shells of
    these atoms can hold 18 electrons.
    • Aromatic compounds involve a delocalization of pi electrons. These
    electrons obey Huckel’s rule.
    • Group 4A elements, such as carbon, have four valence
    electrons and form four bonds, as in methane, The carbon atom
    in the resultant molecule has four bonding pairs of electrons.

    • Group 6A elements, such as oxygen, have six valence electrons


    and form two bonds, as in water, The oxygen atom in the
    resultant molecule has two bonding pairs of electrons and two
    lone pairs.
    In molecules such as and many others, the atoms share more than one pair of
    electrons, leading to the formation of multiple covalent bonds.
    The oxygen atoms in the molecule, reach valence-shell octets by sharing four
    electrons (two pairs), giving a double bond.
    • Draw an electron-dot structure for phosphine , PH 3,

    • Draw an electron-dot structure for CO2 ?


    Molecular Shapes: The VSEPR Model

    • The shape of a molecule can often be predicted by using what is


    called the valence-shell electron-pair repulsion (VSEPR) model.
    Electrons in bonds and in lone pairs can be thought of as “charge
    clouds” that repel one another and stay as far apart as possible, thus
    causing molecules to assume specific shapes.

    • The VSEPR theory assumes that each atom in a molecule will achieve
    a geometry that minimizes the repulsion between electrons in the
    valence shell of that atom.
    Steps to Using VSEPR
    • Draw a Lewis structure for the ion or molecule in question.
    • Determine the number of electron groups around the central
    atom. Each lone pair of electrons counts as a single group.
    Each bond counts as a single group, even if it is a double or
    triple bond. Find the corresponding electron geometry from the
    table.

    The order of repulsion between electron pairs as follows:


    Lone Pair- lone pair > Lone Pair- bond- pair > Bond Pair-
    bond pair
    • Examples :
    • There are three places on the central atom in boron trifluoride
    (BF3) where valence electrons can be found. Repulsion
    between these electrons can be minimized by arranging them
    toward the corners of an equilateral triangle. The VSEPR theory
    therefore predicts a trigonal planar geometry for the BF 3
    molecule, with a F-B-F bond angle of 120o.
    Molecular orbital Theory
    • The electron-dot structures provide a simple way to predict the distribution
    of valence electrons in a molecule, and the VSEPR model provides a
    simple way to predict molecular shapes.
    • Molecular orbital theory assumes that individual electron pairs are found in
    molecular orbitals that are distributed over the entire molecule.
    • According to MO theory, covalent bonds result from the combination of
    atomic orbitals to form molecular orbitals—orbitals that belong to the
    whole molecule rather than to a single atom.

    Molecular orbitals
    A molecular orbital describes the volume of space around a molecule where
    an electron is likely to be found.
    Molecular orbitals
    • Molecular orbitals are analogous to atomic orbitals.
    • Like atomic orbitals, molecular orbitals have specific sizes, shapes, and energies.
    • The number of molecular orbitals formed must equal the number of atomic
    orbitals combined.
    • Molecular orbitals, just like atomic orbitals, are arranged in order of increasing
    energy.
    • Filling of molecular orbitals is governed by the same principles as the filling of
    atomic orbitals.

    • When two atomic orbitals combine to form a molecular orbital, the wave
    functions are combined both in phase and out of phase to create one bonding
    molecular orbital and one antibonding molecular orbital, respectively.
    • A bonding molecular orbital -This is called a (sigma) bonding
    molecular orbital. The electron density of the orbital is
    concentrated between the atomic nuclei.
    • An antibonding molecular orbital (designated with an ) - the electron
    density of the orbital is concentrated in regions of space outside the area
    between the atomic nuclei.
    In the molecule, for instance,
    The H–H bond results from the overlap of two singly occupied
    hydrogen 1s orbitals

    A bond is cylindrically symmetrical—the electrons in the bond are symmetrically


    distributed about an imaginary line connecting the centers of the two atoms
    joined by the bond.
    Atomic orbitals of and molecular orbitals of before covalent bond formation,
    each electron is in an atomic orbital. After covalent bond formation, both
    electrons are in the bonding molecular orbital. The antibonding molecular orbital
    is empty.
    • Two p atomic orbitals can overlap either end-on or side-to-side.
    • The greater the amount of orbital overlap, the stronger the bond. This leads to a
    directional character to the bond when other than s orbitals are involved.

    • Eg: fluorine atom has the electron configuration [He] 2s2 2px2 2py2 2pz1
    so the F–F bond results from the overlap of two singly occupied 2p orbitals. The
    two p orbitals must point directly at each other for optimum overlap to occur, and the
    F–F bond forms along the orbital axis.
    Such bonds that result from head-on orbital overlap are called sigma bonds
    • End-on overlap forms a sigma bond.
    • End-on overlap of two p orbitals to form a bonding molecular orbital
    and an antibonding molecular orbital.
    • side-to-side overlap of two p atomic orbitals forms a pi bond .
    • Side-to-side overlap of two parallel p orbitals to form a bonding
    molecular orbital and an antibonding molecular orbital.
    • A bond formed by the end-on overlap of p orbitals is stronger than a bond
    formed by the side-to-side overlap of p orbitals.

    • It also means that a sigma bonding molecular orbital is more stable than a
    pi bonding molecular orbital because the stronger the bond, the more
    stable it is.

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