Questions tagged [physical-organic-chemistry]
For questions about how organic molecules and reactions are investigated using physical experiments.
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questions with no upvoted or accepted answers
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How do bonds rotate in pericyclic reactions?
In Pericyclic reactions, it is shown that the terminal bonds rotate (conrotation or disrotation) to allow for allignment of the FMO's, thereby forming the sigma bond
However, a detail that most of my ...
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Does π values vary in Hansch-Fujita equations for a given substituent?
I was reading about Hansch-Fujita equations from Hansch-Fujita paramaters and observed that the $π$ values of substituents (analogous to Hammet $σ$ values) change according to the specific environment ...
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Normalising Kinetic Isotope Effect Per Deuterium Atom
I've synthesised a protic and deuterated version of a specific molecule where there are two deuterium atoms in the latter. I then go about and measure the kinetic isotope effect (KIE) for a reaction ...
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Number of configurations/states for electrons in orbitals
I'm performing complete active space calculations for the prediction of X-ray absorption L edge spectra. This involves an excitation from 2p orbitals to the 3d orbitals of the metal. For the ...
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Can cycloaddition reactions be antarafacial?
Cycloaddition reactions of the form [4+2] and [2+2] are always suprafacial, as the geometry is too constrained to allow for antarafacial interaction between the FMO's. However, for cycloaddition of ...
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Why does Larmor precession occur in NMR?
Larmor precession is the phenomenon that in NMR the spin (and by default also the magnetic dipole moment) of protons does not line up with the applied magnetic field but rather precesses around this ...
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Electrolysis of benzyl alcohol in methanol
I am conducting following electrochemical experiment on Au wires in organic medium:
I suppose the anodic reaction goes through a benzaldehyde intermediate:
The cathodic reaction is hydrogen ...
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What is this gel byproduct of acetylsalicylic acid recrystallization?
I did a very simple acetylsalicylic acid synthesis from salicylic acid and acetic anhydride (with phosphoric acid as a catalyst). After rinsing, filtering and drying the product I dissolved it in ...
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Why is cyclohexane more polarizable than benzene?
Looking at figure 4.2 here, we can see experimentaly that cyclohexane is more polarizable than benzene.
Why is this the case?
Intuitively, I would think that because the orbitals in benzene are more ...
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Why is the enthalpy of formation of 2,2-dimethylpentane larger than that of 2,2,3-trimethylbutane?
Firstly, it is commonly known and taught that branched alkanes are more stable than linear ones, and so have larger enthalpies of formation. But why is that the case? Are there some steric ...
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What kinetic model does the hydrogenation reaction of dibenzyltoluene follow?
So during the course of my research, I've read countless papers related to the hydrogenation of dibenzyltoluenen and the dehydrogenation of perhydro-dibenzyltoluene. Now what I've noticed, is the fact ...
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Comparison of boiling points of para-derivatives of phenol
The boiling points of four para-derivatives of phenol are:
How can we compare the boiling points of p-nitrophenol and p-aminophenol?
Apart from the hydroxyl group, p-nitrophenol has two oxygen atoms ...
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2
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Origin of the NMR shielding
In a paramgnetic material the induced dipole moment of atoms or (molecules) of the material aligns with the external field. I can understand this by Zeeman splitting. A term symbol splits into states ...
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How Do Turing's Reaction-Diffusion Models in "The Chemical Basis of Morphogenesis" Relate to Organic and Physical Chemistry?
I'm reading Alan Turing's "The Chemical Basis of Morphogenesis" and its reaction-diffusion models:
https://www.dna.caltech.edu/courses/cs191/paperscs191/turing.pdf
As far as I understand ...
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Cation/Anion UV-Vis absorption
I want to understand how the ground state absorption of a molecule shifts if an electron is added or removed. I found these two publications 1 and 2 that observe shifts, but both times a redshift, be ...
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