NBO, AIM and TD-DFT assisted screening of Metallo-porphyrin induced C70 fullerene on Oxygen sensor design

Porphyrin-like defect can be introduced as well as the intercalation of metals into fullereneto modify their electronic and magnetic properties thus significantly widening theirapplication areas [1]. The application of porphyrins or their metal complex in chemicalsensors, and in multisensory analysis in particular, is extremely attractive. Since thesecompounds have demonstrated to be versatile sensing materials, they able to detect a widerange of gas molecules by a manifold of different sensing mechanisms [2].