Questions tagged [reaction-coordinate]
Questions related to abstract one-dimensional coordinates which represent progress along a reaction pathway.
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Gibbs free energy versus reaction progress plots
I am trying to make sense of these two graphs. They appear to have similar axes, yet display different curves.
Please let me know if this understanding is correct:
In the top image (x-axis = "...
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Energy values of steam reformation, water gas shift, hydrogen and methane burning seem to not add up correctly [closed]
I found the following reactions including the Energy-Delta all in Wikipedia and in at least one more source each:
(Delta with "-" are exothermic reaction which is generating heat)
Steam ...
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Impact of temperature on an Energy profile diagram
What happens to the energy profile diagram if you increase the temperature of the system?
From my understanding, I think the whole diagram would shift upwards, as the reactants and products will both ...
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How change in potential energy corresponds to change in enthalpy?
So while reading about activation energy , I came across this graph :
Here, change in potential energy of reactant and product is depicted as ${ΔH}$, but at constant pressure and temperature , ...
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Organic-catalysis microwaves [closed]
When we perform a organic reaction without any addtional catalyst except that the reaction is carried out under microwave condition we can accelerate this reaction in comparison with one under heating ...
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How to draw a reaction coordinate diagram for SN1 mechanism?
How would you draw a reaction coordinate diagram for an SN1 mechanism with the following conditions?
each step in the mechanism (there are 2 steps) is favorable
the second step of the mechanism is ...
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Potential energy surface in transition state theory
I would like to study the typical reaction from the transition state theory:
$$\ce{AB + C <=> ABC^‡ -> A + BC}$$
Assuming $\ce{ABC^‡}$ is a colinear molecule, the potential energy surface of ...
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Why is the top SN2 reaction faster? (Molecular Orbital Theory)
I'm having trouble understanding why the top SN2 reaction proceeds faster. I know that benzylic and allylic halides react faster in SN2 reactions than non-conjugated halides. I think it's because the ...
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Endothermic or Exothermic [closed]
Is an endothermic reaction always endothermic at all conditions of pressure, temperature etc.? Similarly for exothermic... I mean is sign of ∆H always the same as sign of ∆H°?
This might seem to be a ...
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Hessian Matrix and Physical directions: Potential Energy Surface
How do the eigenvectors of the Hessian Matrix for potential energy surface correspond directly to the physical directions of translation, rotation and vibration?
I see that they might correspond to ...
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Relationship between Gibbs free energy and potential energy (related to reaction coordinate diagrams)
For a rate law, the rate constant $k$ is given by the equation
$$\ln k = \ln A - \frac{E_\mathrm{a}}{RT}\tag{1}$$
If $k_\mathrm{fwd}$ is the forward rate constant and $k_\mathrm{rev}$ is the reverse ...
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Y-axis of the reaction co-ordinate graph
In the graph of the reaction co-ordinate, is the $y$-axis that is used $∆H,$ $∆U$ or $∆G$?
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AP Chem Question about Reaction Rate - Confused?
I found this question in the AP Chem book, and I understand why B is the answer (as the answer key says). However, I don't understand why D is not also correct.
The question is:
A multistep reaction ...
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Probability of the single molecule reaction to happen
I am trying to simulate the single particle second order reactions with known rate constants $k_1$ and $k_{-1}$ in Python. The point of this simulation is to fit the real experimental data to the ...
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Is it possible to define the coordinates of an atom using other coordinates while optimizing in gaussian 16?
I know it is possible to fix the value of composite expressions using generalized internal coordinates (gic) in gaussian 16. But is it possible to assign that value to the coordinate of another atom.
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