摘要

A new ion-pair complex, [TTF][Pd(mnt)(2)] (1), where TTF+ =tetrathiafulvalene and mnt(2-)=maleonitriledithiolate, was synthesized and characterized structurally. Compound 1 crystallizes in triclinic space group P-1, with a=8.008(5)angstrom, b=11.333(8)angstrom, c=11.373(6)angstrom, =108.112(7)degrees, =91.550(5)degrees, =95.232(5)degrees, and V=975.2(11)angstrom(3). The [TTF](+) cations (C) and [Pd(mnt)(2)](-) anions (A) form mixed stacks in ...AACCAACC... fashion, and the neighboring mixed stacks are held together via van der Waals forces in the crystal. Compound 1 shows weak Curie/Weiss-type magnetic behavior from 2 to 370K; theoretical investigation disclosed the existence of strongly antiferromagnetic coupling in both [Pd(mnt)(2)](2) (2-) and [TTF](2) (2+) dimer pairs via frontier orbitals overlap mechanism and weakly ferromagnetic coupling between the face-to-face overlapped [TTF](+) and [Pd(mnt)(2)](-) via spin polarization mechanism within a mixed stack. The powdered pellet electrical conductivity measurement indicated that 1 shows semiconductor character with activation energy of 1.1(3)eV.