Abstract
Infrared spectra of ethylene adsorbed on ion-exchanged mordenites (metallic cation = Li +, Na +, Ca 2+, Zn 2+ and Cd 2+) were measured. Weak bands were found at 1612â1614 and at 1338â1340 cm â1 in Li +, Na + and Ca 2+ mordenites. They are assigned to the totally symmetric Îœ(Cî»C) stretching and symmetric ÎŽ(CH 2) bending modes of the ethylene monomer. In Zn 2+ and Cd 2+ mordenites the corresponding bands shift to lower energy and increase in intensity. These forbidden bands become IR active through the electron-donor-acceptor (charge-transfer) interaction between ethylene and the metallic cation. To estimate the IR intensity induced by the charge-transfer interaction, ab initio SCF MO calculations were carried out for ethylene-chlorine monofluoride (C 2H 4-CIF) complex selected as a model complex. The calculations show that only a small amount of charge-transfer modulation of the CîžC stretching mode can induce its IR activity enough to observe it in the spectra, and that the direction of the transition dipole is perpendicular to the CîžC bond.
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