Composite high spin states - J coupling

[ESalvadori]

Hi All,

I am trying to simulate the interaction between a photo-excited triplet and one radical to estimate the magnitude of J by comparison with my experimental spectrum.

The problem I am encountering is the following:
- the triplet is polarised and it requires Exp.temperatures
- the radical is thermalised so the experimental temperature should be enough to define the sub-level populations.

Pepper asks me for three values to describe the population of the radical and I am not quite sure how to address this since one value should suffice.

Any tips to work around this would be much appreciated.

Thank you.

Kind regards

[Stefan Stoll]

In your triplet-doublet system, there are 6 states (3 from the triplet times 2 from the doublet). Therefore, Exp.Temperature should contain 6 values, one for each level. See here for a description.