Computation of dissociation energies
نویسندگان
چکیده
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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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...
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I.A. PSHENICHNOV, J.P. BONDORF, S. MASETTI, I.N. MISHUSTIN, A. VENTURA 1 Institute for Nuclear Research, Russian Academy of Science, 117312 Moscow, Russia 2 Italian National Agency for New Technologies, Energy and Environment, 40129 Bologna, Italy 3 Niels Bohr Institute, DK-2100 Copenhagen, Denmark 4 Kurchatov Institute, Russian Research Center, 123182 Moscow, Russia We study the simultaneous d...
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We describe and apply a new procedure that allows a direct determination of dissociation energies of polyatomic systems (clusters, fullerenes, polymers, and other molecules) without any modeling of the systems under investigation. As an example, we have determined the dissociation energies of a series of gold clusters Au(+)n. A comparison with values obtained from statistical models of unimolec...
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Correlations of various indices of the stability and reactivity of carbon-centered radicals with ESR hyperfine splitting constants have been examined. For a large number of monoand disubstituted radicals there is a moderately good linear correlation of R-proton hyperfine splitting constants (a(HR)) with radical stabilization enthalpies (RSE) and with BDE(C-H), the C-H bond dissociation energies...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1982
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed059p623.3