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Bond energy is defined as the amount of energy required to break apart a mole of molecules into its component atoms. Bond energy is a measure of a chemical bond’s strength, meaning that it tells us how likely a pair of atoms is to remain bonded in the presence of energy perturbations. Alternatively, it can be thought of as a measure of the stability gained when two atoms bond to each other, as opposed to their free or unbound states.
For instance, the HO-H bond in a water molecule requires 493 kJ/mol to break and generate the hydroxide ion (OH–). Breaking the O-H bond in the hydroxide ion requires an additional 424 kJ/mol. Therefore, the bond energy of the covalent O-H bonds in water is reported to be the average of the two values, or 458.9 kJ/mol. These energy values (493 and 424 kJ/mol) required to break successive O-H bonds in the water molecule are called 'bond dissociation energies,' and they are different from the bond energy. The bond energy is the average of the bond dissociation energies in a molecule.
The common bond energies are shown in Fig. 1
Fig. 1 Common bond energies
With Gaussian program, we can determine the structural properties of molecule, such as bond energy, bond strain, and bond order using Natural Bond Orbital (NBO) analysis. NBO is used for population analysis for characterizing "bond" and "electron density" in computed molecule.
Chemists from Alfa Chemistry have a great deal of experience in the tests of chemicals. Our experienced chemists are pleased to work with you to solve your problems in scientific research and industrial applications. We provide bond energy analysis of chemicals and reactions to our customers. Please feel free to contact us for more details.