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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.
Bond energy and bond-dissociation energy are measures of the binding energy between the atoms in a chemical bond. It is the energy required to disassemble a molecule into its constituent atoms. This energy appears as chemical energy, such as that released in chemical explosions, the burning of chemical fuel and biological processes. Bond ...
The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
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).
A force field is used to minimize the bond stretching energy of this ethane molecule.. Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields.
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]
The lower-energy MO is bonding with electron density concentrated between the two H nuclei. The higher-energy MO is anti-bonding with electron density concentrated behind each H nucleus. Molecular orbital (MO) theory uses a linear combination of atomic orbitals (LCAO) to represent molecular orbitals resulting from bonds between atoms.
A force field is the collection of parameters to describe the physical interactions between atoms or physical units (up to ~10 8) using a given energy expression. The term force field characterizes the collection of parameters for a given interatomic potential (energy function) and is often used within the computational chemistry community. [50]