These theoretical evaluations are of high regard from two distinct perspectives. Firstly, the results corroborate the conclusions of previous studies regarding the critical role of triplet states in driving the photo-induced proton transfer process. Our findings reveal that the rate of ISC is fastest in 2-TP, intermediate in 3-TP, and markedly slow in 4-TP. These observations have implications regarding the feasibility of photo-induced proton transfer, suggesting that the process is most efficient in the ortho isomer and becomes progressively less favorable in the meta and para isomers. Secondly, the simulations offer a potential framework for experimental validation of the discussed dynamic electronic features.