Pm. Paulus et al., THE ELECTRONIC-PROPERTIES OF (METHYL(X)GUANIDINIUM)[NI(DMIT)(2)](2) -A 2-ORBITAL TIGHT-BINDING ANALYSIS, Solid state communications, 97(9), 1996, pp. 737-740
The influence of the cation on the electronic properties of coordinati
on compounds with Ni(dmit)(2) anions has been studied in the new serie
s (Me(x) Gua)[Ni(dmit)(2)](2), where x = 0,2,4,6. In the tight-binding
analysis a two-orbital approach appears to be essential. The HOMO's o
f the neutral molecules give the conduction bands. On-site Coulomb rep
ulsion has to he included to explain the observed semiconducting behav
iour.