Daniel Powell

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Questions related from Daniel Powell

Is there a difference between biradicals and dianions?

Biradicals are molecular species with two electrons occupying degenerate or nearly degenerate molecular orbitals with a pure open shell configuration. I can't seem to see a difference between...

21 February 2022 6,484 1 View

How to prevent R-NH3 from deprotonating during a gaussian calculation?

I am trying to do an opt+freq calculation with DFT using b3lyp/6-311g(2d,p) in order to calculate the HOMO/LUMO energies on the molecule shown below; a napthalene diimide (NDI) and two...

05 October 2020 976 4 View

Why do some organic radicals have quenched photo-luminescence?

I have seen a number of publications state that organic radicals often exhibit quenched photo-luminescence, yet offer no explanation as to why. Can someone offer a physical explanation as to why...

17 February 2020 1,010 2 View

How to measure capacitence of the dielectric layer in FET devices?

I am trying to extract electron mobility values from FET transfer curves using the equation µ = [L / W*Ci*Vd]*[∂ISD / ∂VGg] where L and W are the respective length and width of the channel and Ci...

12 September 2019 3,683 2 View

RT standards for quantitative EPR?

I am doing quantitative EPR on some organic radicals and I need to find an appropriate standard. For experimental design reasons I'd rather not get into, suffice it to say that I need to use a...

12 February 2018 5,084 7 View