Abstract
An electron acceptor molecule of tetracyanoquinodimethane (TCNQ) derivative; trifluoromethyl-TCNQ (CF 3 TCNQ) was synthesized and its crystal structure was determined. CF 3 TCNQ was found to be a strong electron acceptor comparable to 2,5-difluoro-TCNQ. The adiabatic electron affinity and molecular on-site Coulomb energy of CF 3 TCNQ were estimated to be 2.96-3.05 eV and 4.74 eV, respectively. The acidity of dihydro-CF 3 TCNQ in N,N-dimethylformamide/H 2 O was estimated to be pK 1 =5.30 and pK 2 =8.20. The molecular and crystal structures and molecular orbitals of CF 3 TCNQ are described.
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