On the other hand, the insolubility of metal coordination
polymers in common organic solvents implies that the physical measurements of such a sample in solution may be impossible.
Even if a metal coordination polymer can be dissolved
in a certain solvent, the characteristic structural features of
this compound in solution may differ from that in the solid
state, corresponding possibly to different photoluminescence
mechanisms. Furthermore, a complicated or polymeric structure may also be a barrier for theoretical calculations. How we
can deal with the problem by means of the MO calculations?