Modeling structure and spectra of silver complexes in condensate films of polar liquid crystals

By performing ab initio quantum chemistry calculations, including partial g eometry optimization and vibrational analysis for the sandwich-like cyanobe nzene-silver complexes, it is shown that the observed red shifts in the CN stretching region of the IR spectra of silver-cyanobiphenyl condensate film s should be assigned to the formation of the pi-complexes.