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A >200 meV Uphill Thermodynamic Landscape for Radical
A >200 meV Uphill Thermodynamic Landscape for Radical

... temperature (K), and F is Faraday’s constant. Method A: Quantitation of F3Y122• and Y356• in β2 as a Function of Temperature. Each EPR spectrum was normalized to have the same intensity in the low-field features associated with F3Y122•. In this representation of the spectra, the intensity of F3Y122• ...
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... H is more positive than E by 2.5 kJ/mol. This quantity of energy can be considered to be: 1) the heat flow required to maintain a constant temperature. 2) the work done in pushing back the atmosphere. 3) the difference in the H—O bond energy in H2O(l) compared to H2O(g). 4) the value of H itself. ...
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... 8. Epsom salts, a strong laxative used in veterinary medicine, is a hydrate, which means that a certain number of water molecules are included in the solid structure. The formula for Epsom salts can be written as MgSO4•xH2O, where x indicates the number of moles of H2O per mole of MgSO4. When 5.061 ...
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52 - University of Strathclyde
52 - University of Strathclyde

... positions. Inspecting the Zn–C distances in 4 shows that the Zn– C4 bond [Zn1–C2, 2.058(3) Å] is identical to that found for 2 and about 0.06 Å shorter than the Zn–C2 bond [Zn2–C1, 2.114(3) Å], which in turn compares well with that found in the NHC complex 3 [Zn2–C1, 2.118(5) Å]. As far as we ca ...
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Transition state theory



Transition state theory (TST) explains the reaction rates of elementary chemical reactions. The theory assumes a special type of chemical equilibrium (quasi-equilibrium) between reactants and activated transition state complexes.TST is used primarily to understand qualitatively how chemical reactions take place. TST has been less successful in its original goal of calculating absolute reaction rate constants because the calculation of absolute reaction rates requires precise knowledge of potential energy surfaces, but it has been successful in calculating the standard enthalpy of activation (Δ‡Hɵ), the standard entropy of activation (Δ‡Sɵ), and the standard Gibbs energy of activation (Δ‡Gɵ) for a particular reaction if its rate constant has been experimentally determined. (The ‡ notation refers to the value of interest at the transition state.)This theory was developed simultaneously in 1935 by Henry Eyring, then at Princeton University, and by Meredith Gwynne Evans and Michael Polanyi of the University of Manchester. TST is also referred to as ""activated-complex theory,"" ""absolute-rate theory,"" and ""theory of absolute reaction rates.""Before the development of TST, the Arrhenius rate law was widely used to determine energies for the reaction barrier. The Arrhenius equation derives from empirical observations and ignores any mechanistic considerations, such as whether one or more reactive intermediates are involved in the conversion of a reactant to a product. Therefore, further development was necessary to understand the two parameters associated with this law, the pre-exponential factor (A) and the activation energy (Ea). TST, which led to the Eyring equation, successfully addresses these two issues; however, 46 years elapsed between the publication of the Arrhenius rate law, in 1889, and the Eyring equation derived from TST, in 1935. During that period, many scientists and researchers contributed significantly to the development of the theory.
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