Abstract
The well-known trio of IR bands (A, B, C) at approximately 2800, approximately 2400, and approximately 1700 cm-1, typical for strong H complexes in vapors, liquids, and solids, is also found in CD3CN adsorption on Bronsted sites of HZSM-5 and HY zeolites. The observed CN frequencies in interaction with different Bronsted and Lewis sites of these zeolites are quantitatively reproduced by ab initio 3-21 g calculations combined with the frequency scaling procedure
Original language | English |
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Pages (from-to) | 11071-11074 |
Journal | Journal of Physical Chemistry |
Volume | 97 |
Issue number | 42 |
DOIs | |
Publication status | Published - 1993 |