Electronic properties of neutral dyes in the channels of zeolite L: a combined spectroscopic and quantum chemical study.

Three low molecular weight model compounds for poly(phenylene-ethynylene)s were inserted into the channels of zeolite L by using gas phase insertion. The absorption and emission spectra in solution and dye/zeolite L are reported. Two compounds show emission properties in zeolite L comparable to that in solution. In contrast, the bipyridine containing compound shows a red shift toward longer excitation wavelengths. Matrix rank analysis of the emission spectra gave three contributing species. Quantum chemical calculations provide different conformations depending on the Si/Al distribution of the framework and the extraframework cations and attached protons.