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Updated: Jun 26, 2026

Determination of the Photoisomerization Quantum Yield of a Hydrazone Photoswitch
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熱化学のためのホモデスマティック反応の階層

Steven E Wheeler1, Kendall N Houk, Paul v R Schleyer

  • 1Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, USA. swheele2@chem.ucla.edu

Journal of the American Chemical Society
|February 3, 2009
PubMed
まとめ

コンピューティング用熱化学は,新しい反応クラスの定義,特にハイパーホモデスマティック (RC5) とホモデスマティック (RC4) の結合分離反応から,より優れた精度を提供する炭化水素の恩恵を受けています.

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Thermochemical Equations02:55

Thermochemical Equations

For a chemical reaction (the system) carried out at constant pressure – with the only work done caused by expansion or contraction – the enthalpy of reaction (also called the heat of reaction, ΔHrxn) is equal to the heat exchanged with the surroundings (qp).
Hess's Law03:40

Hess's Law

There are two ways to determine the amount of heat involved in a chemical change: measure it experimentally, or calculate it from other experimentally determined enthalpy changes. Some reactions are difficult, if not impossible, to investigate and make accurate measurements for experimentally. And even when a reaction is not hard to perform or measure, it is convenient to be able to determine the heat involved in a reaction without having to perform an experiment.
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Thermodynamic Background

The law of mass action states that "the rate of a chemical reaction is directly proportional to the product of the molar concentrations of the reactants." It means that the more 'active mass' or 'concentration' of the reactants present, the faster the reaction will proceed.In a chemical reaction, there are forward and reverse reactions. The forward reaction is the process where the reactants combine to form products. The reverse reaction is the process where the products break down to form the...
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Thermal Sigmatropic Reactions: Overview

Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
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Enthalpies of Chemical Changes

The enthalpy change of a chemical reaction is the difference between the total enthalpy of the products and the reactants. This energy change for the molecules involved in a chemical reaction can be visualized through an energy diagram, where the lines represent the total enthalpy of the reactants and products, and the gap between them signifies the enthalpy change for the reaction. In an exothermic reaction, the system's enthalpy decreases, whereas it increases in an endothermic reaction.The...
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Energy Diagrams, Transition States, and Intermediates

Free-energy diagrams, or reaction coordinate diagrams, are graphs showing the energy changes that occur during a chemical reaction. The reaction coordinate represented on the horizontal axis shows how far the reaction has progressed structurally. Positions along the x-axis close to the reactants have structures resembling the reactants, while positions close to the products resemble the products.  Peaks on the energy diagram represent stable structures with measurable lifetimes, while other...