Title of article :
Crystal structures of two charge–transfer complexes of benzo[1,2-c:3,4-c′:5,6-c′′]trithiophene (D3h-BTT)
Author/Authors :
Qin, Qian Department of Chemistry and Biochemistry - Loyola University, USA , Mague, Joel T. Department of Chemistry - Tulane University, USA , Gould, Haley E. Department of Chemistry and Biochemistry - Loyola University, USA , Vasquez, Samuel E. Department of Chemistry and Biochemistry - Loyola University, USA , Heyer, Anthony E. Department of Chemistry and Biochemistry - Loyola University, USA
Abstract :
Benzo[1,2-c:3,4-c′:5,6-c′′]trithiophene (D3h-BTT) is an easily prepared electron donor that readily forms charge–transfer complexes with organic acceptors. We report here two crystal structures of its charge–transfer complexes with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and buckminsterfullerene (C60). The D3h-BTT·TCNQ complex, C12H6S3·C12H4N4, crystallizes with mixed layers of donors and acceptors, with an estimated degree of charge transfer at 0.09 e. In the D3h-BTT·C60·toluene complex, C12H6S3·C60·C7H8, the central ring of BTT is `squeezed' by the C60 molecules from both faces. However, the degree of charge transfer is low. The C60 unit is disordered over two sites in a 0.766 (3):0.234 (3) ratio and was refined as a two-component inversion twin.
Keywords :
crystal structure , charge–transfer complex , benzotrithiophene , C60 , TCNQ.
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
