Theoretical Study of the Charge Transfer of Five Derivatives of Tetrathiafulvalene Complexed with Unsubstituted Tetracyanoquinodimethane
Fatogoma Diarrassouba, Kafoumba Bamba, Mawa Koné, Ahissan Donatien Ehouman & Nahossé Ziao · International Research Journal of Pure and Applied Chemistry · 2021
Our work consisted of a theoretical study of the charge transfer of five Tetrathiafulvalene- Tetracyanoquinodimethane (TTF-TCNQ) complexes. Global reactivity and charge transfer descriptors were determined at theory level B3LYP/6-311G (d,p). These descriptors revealed that the Te...