منابع مشابه
Bond dissociation energies
The bond dissociation energy (enthalpy) is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D) . It is defined as the standard enthalpy change of the following fission: R−X → R + X . The BDE, denoted by Do(R−X), is usually derived by the thermochemical equation, Do(R−X) = ∆fH o(R) + ∆fH o(X) – ∆fH o(RX) . The enthalpy of format...
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The bond energy of molecular fragments to metal surfaces is of great fundamental importance, especially for understanding catalytic reactivity. Thus, the energies of adsorbed intermediates are routinely calculated to understand and even predict the activity of catalytic materials. By correlating our recent calorimetry measurements of the adiabatic bond dissociation enthalpies of three oxygen-bo...
متن کاملBond dissociation energies of organic molecules.
In this Account we have compiled a list of reliable bond energies that are based on a set of critically evaluated experiments. A brief description of the three most important experimental techniques for measuring bond energies is provided. We demonstrate how these experimental data can be applied to yield the heats of formation of organic radicals and the bond enthalpies of more than 100 repres...
متن کاملQuantum chemical calculations of bond dissociation energies for COOH scission and electronic structure in some acids∗
Quantum chemical calculations are performed to investigate the equilibrium C–COOH bond distances and the bond dissociation energies (BDEs) for 15 acids. These compounds are studied by utilizing the hybrid density functional theory (DFT) (B3LYP, B3PW91, B3P86, PBE1PBE) and the complete basis set (CBS–Q) method in conjunction with the 6311G** basis as DFT methods have been found to have low basis...
متن کاملThree empirical correlations connecting gaseous cluster energies and solvation energies of alkali metal and halide ions.
This paper gives two empirical correlations of formation Gibbs energies of gaseous clusters DeltaG(f)n as function of number of solvent molecules attached to the ion, n, and one correlation connecting the DeltaG(f)n for each individual cluster with the total DeltaG(o)hydr value. The experimental ratios of DeltaG(f)2/DeltaG(f)1 and DeltaG(f)3/DeltaG(f)1 for both alkali metal and halide ions are ...
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ژورنال
عنوان ژورنال: Nature
سال: 1959
ISSN: 0028-0836,1476-4687
DOI: 10.1038/1831672a0