Molecular materials of the form electron donor-sigma-bridge-electron accept
or (D-sigma-A) have been synthesized and incorporated into non-centrosymmet
ric Langmuir-Blodgett (LB) multilayer structures. Electrical characterizati
on has been performed using a metalmetal (MM) junction construction. Curren
t density-voltage data demonstrate striking rectification behaviour. Comput
ational modelling of the electronic structure of the material has been carr
ied out using a first principles, density functional approach. Possible con
duction mechanisms are discussed with reference to the results of this mode
lling.