Dipole Moment Application in Chemistry
Dipole moment application in chemistry, used for calculation of ionic character of covalent bonds, bond angle, electric polarization, and polarity of bond in the molecule. For example, the homonuclear non-polar diatomic molecules like molecular hydrogen, oxygen, and nitrogen define zero dipole moment but for carbon monoxide, water, methane, ammonia, we use group moment to calculate the net dipole moment and polarity of the molecule in chemistry.
When a chemical bond is formed between two identical atoms, the bonding electron balances by two atoms. Therefore, the centers of gravity of the two-electron and nucleus coincide and calculated dipole moment equal to zero. But dipole moment arises for two dissimilar units like hydrochloric acid, two electrons are not symmetrically balanced, because the electron attraction force of the hydrogen atom and the chlorine atom is different.
Ionic Character of Molecules
Application of dipole moment determination data uses for the ionic or covalent bond properties in heteronuclear diatomic molecules. Let us consider hydrogen chloride or hydrochloric acid having the observed dipole moment = μobs and the bond length l cm.
If we consider HCl is a purely ionic compound the charge on hydrogen and chlorine = 4.8 × 10-10 esu. Therefore the dipole moment for this ionic compound, μionic = e × ℓ = (4.8 × 10-10) ℓ esu cm, where l = bond length. The original dipole moment differs from the calculation data. Therefore, this data used to calculate the percentage of ionic character of covalent molecules. Hence the percentage of ionic character = (µobserved/µionic) × 100, where µionic = 4.8 × 10 -10 × l.
Electric Polarization and Dipole Moment
Application of electric polarization used for the calculation of the bond polarity and radius of molecules for learning chemistry. Therefore, the induced electric polarization formula of the dipole moment
At NTP, M/ρ = molar volume or density = 22400cc/mole and for spherical molecule, αi= r3. Therefore, r3 = (22400/4πN0)(D0 -1) = 2.94 × 10-21 (D0 -1). When the known value of capacitance, we can easily determine the radius and polarity by electric polarization formula in chemistry.
Calculation of Dipole Moment
The dipole moment application uses to define the structure, bond angle, bond energy, and polarity of different molecules in chemistry. For mono-atomic noble gases and benzene are non-polar because the charge of the constituent atom is distributed symmetrically.
Polarity of the Diatomic Molecules
Polarity homonuclear diatomic molecules like nitrogen, oxygen, and chlorine have zero due to the symmetrical charge distributions and similar electronegativity and ionization energy. Hydrogen bromide and hydrogen iodide have non zero dipole moment indicates the unsymmetrical charge distribution between two bonding chemical elements.
Due to the difference in electronegativity of the constituent atoms in heteronuclear diatomic molecules always polar. Hence the electron pair is not equally shared in hydridized orbital and shifted to the more electronegative atom. Therefore, μHCl = 1.03 Debye, μHBr = 0.79 Debye, μHI = 0.38 Debye, μHF = 2.00 Debye.
Polarity of Carbon Monoxide
The electronegativity difference between carbon and oxygen in CO is very large but the polarity of carbon monoxide very low. This suggested that the charge density of the electron particles in the oxygen atom somehow back-donated to the carbon atom. Hence CO formed a coordinate covalent bond directing towards carbon atom to show polarity.
Bond Moment of Molecules
Carbon dioxide, barium chloride, stannous chloride have zero dipole moment indicating that the molecules have a symmetrical electric charge distribution between the bond. In carbon dioxide, one carbon-oxygen cancels the bond moment of the other carbon-oxygen bond. But the bond moment is associated with the bond arising from the difference of electronegativity. Therefore, the vectorial addition of the bond moments uses to calculate the dipole moment of the molecule.
Therefore, μ2 = m12 + m22 + 2m1m2Cosθ, where m1 and m2 are the bond moments. Bond moments calculation help finding bond angle of carbon dioxide molecule, where µ = 0 and m1 = m2 = m. Therefore, 0 = 2m2(1 + cosθ); or, θ = 180°. For example, water and hydrogen sulfide molecule non-polar because they have non-linear structures. The bond angle can be calculated from the polarity of the molecules.
Dipole Moment of the Water Molecule
Due to the non-linear structure of the water molecule, we can calculate the net electric dipole moment from the bond moment of water, which ≠ 0. If the dipole moment of the water molecule, μ = 1.84 D and bond moment = 1.60 D. Therefore, (1.84)2 = 2 (1.60)2 (1+ cosθ ); or θ = 105°. The contribution of non-bonding electron toward the total dipole moment is included within the bond moment of water.
Polarity of boron trifluoride
Boron trichloride, boron trifluoride are the tetratomic compound having dipole moment zero, indicating that they have a regular planar structure.
Halogen atoms are on a plane at the corner of the equilateral triangle and boron atom at the intersection of the molecules. Thus the μ of the above molecules is zero.
Polarity of Ammonia and Phosphine
Other types of the molecule such as ammonia and phosphine are polar, where μ≠0 indicated that the molecule has a pyramidal structure. Hence three hydrogen atoms on a plane and nitrogen atom at the apex of the pyramid in ammonia and phosphine. But NF3 shows a very small bond moment although there is a great difference of electronegativity and electron affinity between nitrogen and fluorine atoms and a similar structure of NH3.
This low value of µ in NF3 is explained by the fact that the resultant bond moment of the three nitrogen – fluorine bonds are acting in the opposite direction to that of the lone pair placed at the nitrogen-atom. But in NH3, the resultant bond moment is acting in the same direction as that of the lone pair electrons.
Dipole Moment Penta atomic Molecule
Methane, carbon tetrachloride, platinum chloride are examples of Penta-atomic molecules having zero dipole moment. This suggests that the molecules either regular tetrahedral or square planer structure. But polar molecules of this type have pyramidal structures.
Dipole Moment of Methane
For calculating bond polarity, let us discuss the structure of methane. In methane molecule, the valence shell electronic configuration of central carbon atom 2s2 2p2. Hence the carbon atom in methane sp3 hybridized to form a regular tetrahedral structure with the angle of each H-C-H = 109°28ˊ. Therefore the application group moment of the C-H bond provides the arrangement of the bonds. Where the difference of the electronegativity of the constituent atoms forming the bonds in the group.
But it can be shown that the group moment of methyl group identical to the bond moment of a carbon hydrogen bonding. Therefore, two bond moments cancel each other and use for calculation of the dipole moment of methane molecules.
∴ mCH3 = 3 mCH × Cos(180° -109°28՛)
= 3 mCH Cos 70°32՛
= 3 mCH × (1/3) = mCH
∴ µmethane = mCH (1 + 3 Cos 109°28՛) = 0
Dipole Moment of Chloro-methane and Chloroform
μ2 = m12 + m22 + 2 m1m2 Cosθ
But for chloro-methane θ = 0° hence Cosθ = 1
∴ μ = (m1 + m2) = (1.5 D + 0.4 D)
Therefore, μchlorometane = 1.9 D
Similarly, for Chloroform θ = 0° hence Cosθ = 1
μ = (m1 + m2) = (1.5 D + 0.4 D)
Hence μchloroform = 1.9 D
A similar calculation is done for polarity hydrocarbon like eathylene, propylene, butylene, etc and alcohol in organic chemistry. The bond moment of mOH = 1.6, mC-O = 0.7, mCH3 = mCH = 0.4 debye. Therefore the resultent dipole moment of methyl alcohol = 1.56 while the observed value = 1.65 debye.