TY - GEN
T1 - The IR transmission windows of hydrogen bonded complexes in zeolites: A new interpretation of IR data of acetonitrile and water adsorption on zeolitic Broensted sites
AU - Pelmenschikov, A.G.
AU - Santen, van, R.A.
AU - Wolput, van, J.H.M.C.
AU - Janchen, J.J.
PY - 1994
Y1 - 1994
N2 - The 2800, 2400 and 1700 cm-1 infrared OH bands recently found upon adsorption of many basic molecules on Bronsted sites of zeolites, including acetonitrile and water, are suggested to be analogous to the (A,B,C) triplet of medium-strong molecular X-OHY complexes in vapours, liquids and solids. IR studies of CD3CN and CCI3CN adsorptions on H-ZSM5, H-FeSil, H/D-ZSM5 and H/D-FeSil zeolites show these bands to be in a good agreement with the resonance theory of the (A,B,C) triplet, developed for molecular H-complexes. A new interpretation of IR data of water adsorption on zeolites, using this theory and results of ab initio calculations, suggests the water complex with the bridging OH group of zeolites to be "neutral", the one water OH group interacting by hydrogen bonds both with the bridging OH group and with the nearest AlOSi oxygen and the other OH group being free.
AB - The 2800, 2400 and 1700 cm-1 infrared OH bands recently found upon adsorption of many basic molecules on Bronsted sites of zeolites, including acetonitrile and water, are suggested to be analogous to the (A,B,C) triplet of medium-strong molecular X-OHY complexes in vapours, liquids and solids. IR studies of CD3CN and CCI3CN adsorptions on H-ZSM5, H-FeSil, H/D-ZSM5 and H/D-FeSil zeolites show these bands to be in a good agreement with the resonance theory of the (A,B,C) triplet, developed for molecular H-complexes. A new interpretation of IR data of water adsorption on zeolites, using this theory and results of ab initio calculations, suggests the water complex with the bridging OH group of zeolites to be "neutral", the one water OH group interacting by hydrogen bonds both with the bridging OH group and with the nearest AlOSi oxygen and the other OH group being free.
U2 - 10.1016/S0167-2991(08)63781-7
DO - 10.1016/S0167-2991(08)63781-7
M3 - Conference contribution
SN - 0-444-81847-2
T3 - Studies in Surface Science and Catalysis
SP - 2179
EP - 2186
BT - Zeolites and related microporous materials: state of the art 1994 : proceedings of the 10th International Zeolite Conference, Garmisch-Partenkirchen, Germany, July 17 - 22, 1994
A2 - Bergna, H.E.
PB - Elsevier
CY - Amsterdam
T2 - 10th International Zeolite Conference (IZC), 1994
Y2 - 17 July 1994 through 22 July 1994
ER -