Crystal growth, structure and conductivity of the BEDT-TTF-based charge-transfer salt (BEDT-TTF)2C3H5SO3•H2O

A new BEDT-TIT-based charge-transfer salt, ( BEDT-TTF)(2)C3H5SO3 (.) H2O ( BEDT-TIT = bis(ethylenedithio) tetrathiafulvalene, C3H5SO3- = allylsulfonate), has been prepared by oxidative electro-crystallization at a constant current of 1.5 muA. The single crystal structure was determined by four-circle X-ray diffraction method. The crystal belongs to orthorhombic system, Pma2 space group with the unit cell parameters of a=3.2772(3) rim, b = 0.79604(7) um, c = 0.66868(7) nm, V = 1.7445(3) nm(3). In the crystal of the title compound, the BEDT-TTF cations adopt an alpha'-type packing pattern and organic counter anions form infinite chains by hydrogen bonds along c,axis. The room-temperature conductivity of the salt is 0.0489 Omega(-1) (.) m(-1). The resistivity-temperature curve demonstrates that it is a typical semiconductor with an activation of 0.319 eV.