Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments
Ruthenium tris-bipyridine dyes containing oligophenyleneethynylene (OPE) rigid rod linker groups ([Ru(bpy)(3)](2+), [Ru(bpy)(2)bpy-E-Ipa](2+), [Ru(bpy)(2)bpy-E-Ph-E-Ipa](2+), and [Ru(bpy)(2)bpy-E-Bco-E-Ipa](2+), where bpy = 2,2'-bipyridine, E = ethynylene, Ph = p-phenylene, Bco = bicyclo[2.2.2]octylene, and Ipa = isophthalic acid) have been investigated using DFT and TD-DFT calculations to elucida
