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For example, a water molecule is composed of two O–H bonds bonded as H–O–H. 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 ...
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 ...
Homolytic cleavage is driven by the ability of a molecule to absorb energy from light or heat, and the bond dissociation energy . If the radical species is better able to stabilize the radical, the energy of the SOMO will be lowered, as will the bond dissociation energy. Bond dissociation energy is determined by multiple factors: [4]
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 double bond has two shared pairs of electrons, one in a sigma bond and one in a pi bond with electron density concentrated on two opposite sides of the internuclear axis. A triple bond consists of three shared electron pairs, forming one sigma and two pi bonds. An example is nitrogen.
Pauling obtained the first equation by noting that a bond can be approximately represented as a quantum mechanical superposition of a covalent bond and two ionic bond-states. The covalent energy of a bond is approximate, by quantum mechanical calculations, the geometric mean of the two energies of covalent bonds of the same molecules, and there ...
Irreversible covalent – a chemical bond is formed in which the product is thermodynamically much more stable than the reactants such that the reverse reaction does not take place. Bound molecules are sometimes called a "molecular complex"—the term generally refers to non-covalent associations. [ 2 ]
Single-point energies (SPEs) are calculations of potential energy surfaces of a molecule for a specific arrangement of the atoms in that molecule. In conducting these calculations, bond lengths remain constant (at equilibrium values) and only the bond angle should be altered from its equilibrium value. The single-point computation for each ...