The SOC between the single and triplet states of cyclobutadiene, cyclopentadienyl cation, and cyclopropenyl anion was studied as a function of certain molecular distortions. Based on the SOC and the distortion energy, it was concluded that the order of the transition probability should lie in the order cyclopropenyl anion>cyclobutadiene>cyclopentadienyl cation.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry