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The term bond-dissociation energy is similar to the related notion of bond-dissociation enthalpy (or bond enthalpy), which is sometimes used interchangeably.However, some authors make the distinction that the bond-dissociation energy (D 0) refers to the enthalpy change at 0 K, while the term bond-dissociation enthalpy is used for the enthalpy change at 298 K (unambiguously denoted DH° 298).
This sum will have a maximum at , representing the point of bond dissociation; summing over all the differences up to this point gives the total energy required to dissociate the molecule, i.e. to promote it from the ground state to an unbound state. This can be written:
The bond energy for H 2 O is the average energy required to break each of the two O–H bonds in sequence: Although the two bonds are the equivalent in the original symmetric molecule, the bond-dissociation energy of an oxygen–hydrogen bond varies slightly depending on whether or not there is another hydrogen atom bonded to the oxygen atom.
D 0 is dissociation energy here, r 0 bond length, U potential energy. Energy is expressed in wavenumbers. The hydrogen chloride molecule is attached to the coordinate system to show bond length changes on the curve. Perhaps surprisingly, molecular vibrations can be treated using Newtonian mechanics to calculate the correct vibration frequencies.
The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.
Bond cleavage is also possible by a process called heterolysis. The energy involved in this process is called bond dissociation energy (BDE). [2] BDE is defined as the "enthalpy (per mole) required to break a given bond of some specific molecular entity by homolysis," symbolized as D. [3]
Bond dissociation energy for the carbon monoxide (CO) triple bond, alternatively stated: 1072 kJ/mol; 11.11eV per molecule. [21] This is the strongest chemical bond ...
Heats of formations are intimately related to bond-dissociation energies and thus are important in understanding chemical structure and reactivity. [2] Furthermore, although the theory is old, it still is practically useful as one of the best group-contribution methods aside from computational methods such as molecular mechanics. However, the ...