This work explores the validity of Kasha's rule in the context of Type III separated wavefunction hypothesis.
Computational evaluations were conducted to assess the excited electronic levels and multiplicity.
Simulations incorporated varying parameters related to emission dynamics and wavefunction characteristics.
Findings indicate deviations from Kasha's rule potentially due to Type III wavefunction separations.
Emission dynamics were significantly influenced by the multiplicity of the excited states.
Abstract
Kasha's rule, which states that the emitting electronic level of a given multiplicity is the lowest excited level of that multiplicity, is central to the understanding of photochemistry, and the...