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Questions tagged [epr-spectroscopy]

This tag should be applied to questions concerning all aspects of electron paramagnetic resonance (EPR) spectroscopy, including the theory behind the technique and its applications in chemistry.

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How to calculate the magnetic exchange coupling in a charged radical complex?

I have a neutral complex with two magnetic centers. For this case it is easy to calculate the exchange coupling as the broken symmetry state is converged properly. But when I am making the complex ...
17
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1answer
187 views

Directionality of ring current-induced magnetic fields in purines

What would be the directions of ring current-induced magnetic fields in purine-like heterocycles in a ​strong magnetic field? Would be the antiparallel state be a default state for these substances in ...
6
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1answer
254 views

Can one figure out an optical absorption spectrum from EPR data?

I'm wondering if it's worthwhile for me as an optical spectroscopist to read up a bit on EPR. Do EPR signals reveal where, in terms of wavelength, features in the optical spectrum can be expected to ...
2
votes
1answer
516 views

Factors to consider to predict EPR

What are the factors to consider when predicting the EPR spectrum of $\ce{Cu(Ox)P(CH3)3}$ where $\ce{OX}$ is the oxalate ion? I understand that there are several factors to consider for EPR (Electron ...