Low Temperature X-ray Studies of β1-Pd(dmit)2 Salts

Structure analysis is performed at 8K and room temperature in the isostructural salts β1-(Me4Z)[Pd(dmit)2]2 and β1-(Et2Me2Z)[Pd(dmit)2]2 (Z=P,Sb). The temperature effect on the dimerization of the Pd(dmit)2 molecules is measured. The electronic band calculations show that the two-dimensional HOMO band remains the conduction band at low temperature as the energy gap between the HOMO band and the LUMO band is increased.