Neutron diffraction studies of the hydrogen bonding and water molecules in zeolites

Conference · Sun Jan 01 00:00:00 EST 1984

OSTI ID:6457987

Artioli, G; Smith, J V; Kvick, A; Pluth, J J; Stahl, K

Neutron diffraction studies have been completed at different temperatures for all of the fibrous zeolites (natrolite, scolecite, edingtonite, thomsonite) and completed or in progress for several other zeolites with ordered or disordered frameworks (brewsterite, bikitaite, heulandite, yugawaralite). The evaluation of the data collected to date reveals the complexity of the interaction between cations, water molecules and framework atoms. The role of the water molecules is twofold: to complete the coordination of the cations in the cavities and to minimize the electrostatic repulsion between the framework oxygens. The hydrogen atom arrangement seems to be mainly influenced by the cation-hydrogen repulsion. A secondary effect on the hydrogen bonding system is played by the Si, Al distribution in the framework, that is the charge distribution around the acceptor oxygen atoms. The charge saturation of the framework oxygen atoms, the distance between pairs of available hydrogen bond acceptors and the flexibility of the water molecules determine the hydrogen bond geometry. The hydrogen bond lengths in zeolites are usually long in comparison with the range found in other crystalline hydrates.

• Research Organization: Chicago Univ., IL (USA). Dept. of Geophysical Sciences; Brookhaven National Lab., Upton, NY (USA)
• DOE Contract Number: AC02-76CH00016
• OSTI ID: 6457987
• Report Number(s): BNL-35110; CONF-8409135-1; ON: DE84016431
• Resource Relation: Conference: International symposium on zeolites, Portoroz, Yugoslavia, 3 Sep 1984; Other Information: Portions are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ZEOLITES
STRUCTURAL CHEMICAL ANALYSIS
CHEMICAL BONDS
HYDRATION
NEUTRON DIFFRACTION
WATER
COHERENT SCATTERING
DIFFRACTION
HYDROGEN COMPOUNDS
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
MATERIALS
MINERALS
OXYGEN COMPOUNDS
SCATTERING
SOLVATION
360602* - Other Materials- Structure & Phase Studies