EasySpin forum

Dear Authors,

I saw several users asked that question already and realize that garlic doesn't support electron spin-spin coupling. However, you said that there are several other ways to simulate a biradical in solution. Is chilli fed with an isotropic g and A tensors the right thing to do? On the other hand chilli only supports one nucleus whereas a dinitroxide requires two nitrogens. What in your view is the best way to extract electron-electron dipolaral coupling from a di-nitroxide biradical spectrum in solution using ES?

Many thanks for you kind support,
Dominik

Dominik, if you are in the isotropic limit (fast tumbling), then you could use pepper with isotropic spin Hamiltonian parameters to simulate the spectrum.