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Bond Energy

Definition and Calculations

Bond Energy and Bond Dissociation Energy

Bond energy is the average calculation of dissociation energy of a given chemical bond in the series of different dissociating species but bond dissociation energies are the required energy for breaking the covalent bonds of the molecules. Therefore, the bond dissociation energy depends on the stored energy of the chemical bonds and identical to the bond energy of diatomic molecules but different values for the polyatomic molecules. For example, the dissociation energy for breaking the oxygen hydrogen bond in the water molecule will be 120 kcal, but when the second hydrogen atom separated from the residual OH-group the dissociation energy = 101 kcal.

Similarly, the dissociation energy of the carbon-hydrogen bond in methane and benzene are different because the residual portion of these two molecules is different. From the above discussion, the definition of dissociation energy is the energy or specific heat required to break a particular bond in polyatomic molecules in the gas phase to neutral fragments or free radicals.

Calculation of bond energy and bonds dissociation energies of molecule

Average Bond Energy of Molecule

In hydrocarbon methane, electronic configuration of carbon atom in the excited state, 2px1 2py1 2pz1. On mixing these four atomic orbitals give four equivalent sp3-hybrid orbitals. Therefore, each sp3-hybrid orbitals overlap with the 1s-atomic orbitals of four hydrogen atoms by the formation of four equivalent sigma bonds. But the energies required to break the first bond is not the same as the second bond. Hence we can take the average of all the different dissociation values and this average value termed as bond energy.

Therefore, the dissociation energies for breaking carbon-hydrogen bond in methane = 102 kcal but the average bond energy for the carbon-hydrogen bond in methane = 397/4 = 99 kcal.

Chemical Bonds Bond Energies
kJ Kcal
CH3 – H 426.8 102
MeCH2 – H 405.8 97
Me2CH – H 393.3 94
Me3C – H 374.5 89.5
C – C 347.3 83
C = C 606.7 145
N – N 163.2 39
N = N 418.4 100

Pauling Scale of Bond Energies

The greater the polarity of a bond greater will be bond dissociation energies. This extra energy appearing in A – B molecules arise by electrostatic attraction between A and B dipole. Hence this extra energy possessed by molecules by electric polarization is called ionic resonance energy. These values are used by pulling for the determination of electronegativity or electron affinity difference of elements in the periodic table. Therefore, the empirical formula uses for the calculation of bond energy of A – B molecule is, XA – XB = 0.208 √Δ + α. Where XA and XB = electronegativity of A and B and α = arbitrary constant which nearly zero for chemical elements other than carbon, nitrogen, oxygen, and fluorine, and helium.

Bonds Energies and Resonance

The elementary factor that responsible for energies of given bonds is resonance and steric effects. The property of the molecules in the ground state describes by resonance energy. Most of the resonance energy is obtained from the different types of hydrogenation of bonds. Resonance can occur only when all the atoms involved lie in the same plane. But any change in structure which prevents the planarity diminishes or inhibit resonance. Therefore, the following points useful for learning chemistry to describe the links between resonance hybrid and different bond energies.

The more stable structure is the larger contribution in resonance. Generally the structure with the largest number of bonds more stable. Because the sum of these energies in the molecules gives the stability of the molecule. If different resonating structures have the same number of bonds, but some are charged species. In this case, the charged structure will less stable than the uncharged structure due to the bond moment.

Bond Energy Calculations

The standard state of the element is the state in which the elements exist at 25°C temperature and one atmosphere pressure. The quantity of heat required to produce one mole of atoms in the gaseous atomic state in the standard state is called the heat of atomization of the element and calculated from the spectrum measurement. In learning chemistry, the thermodynamics heat of formation and atomization or ionization data table used for calculations of the bond energy of the molecule.

For example, the heat of formation of methane = -17.9 kcal is an exothermic reaction. The heat of atomization solid carbon element to the gaseous carbon atom and hydrogen gas to gaseous hydrogen atom = 170.9 kcal and 4 × 52.1 kcal.

C (s) → C (g) ΔH = 170.9 kcal
2H2 (g) → 4H (g) ΔH = 4 × 52.1 kcal
CH4 → C (s) + 4H (g) ΔH = 17.9 kcal

From the above data required energy for breaking four carbon-hydrogen bonds = 170.9 + 4 × 51.1 + 17.9 = 397.2 kcal. Therefore, the carbon-hydrogen bond energies = 397.2/4 ≈ 99 kcal. Such calculation shows that carbon-hydrogen bond energy in a hydrocarbon like methane, ethane, ethylene, etc are the same but this is not strictly correct. The energy varies due to environmental linking and the stereochemistry or structural dimensions of molecules in chemical science. But the variation values are however often small.

Heat of Formation and Bond Energy

Automation and bond energy chart or data used to calculate the heat of the formation of a molecule. Let us take one example, for the formation of methyl alcohol from carbon, oxygen, and hydrogen.

C (s) + 2H2 (g) + ½O2 (g) → CH3OH (l)
Atomization of 1-mole carbon = 170.9
For 2-mole hydrogen = 4 × 52.1
For half-mole oxygen = 59.6
Formation of 3 carbon hydrogen bonds = – 3 × 99
For 1 C-O bond = – 84
For 1 O-H bond = -110.5
Liquefaction of 1 mole CH3OH = -8.4

From the above bond dissociation energies and atomization energy table in chemistry, the heat of formation of liquid alcohol = -61 kcal. If there exist one or more resonating structure, the resonance energy also taken for the bond energies calculations.