By performing ab initio quantum chemistry calculations, including partial geometry optimization and vibrational analysis for the sandwich-like cyanobenzene-silver complexes, it is shown that the observed red shifts in the CN stretching region of the IR spectra of silver-cyanobiphenyl condensate films should be assigned to the formation of the π-complexes.
N. V. Ozhegova, A. V. Nemukhin, T. I. Shabatina and G. B. Sergeev, Mendeleev Commun., 1998, 8, 218 DOI: 10.1070/MC1998v008n06ABEH000999
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