Solid-state oxygen-17 nuclear magnetic resonance spectroscopic studies of zeolites and related systems. 2

Journal Article · Wed Nov 12 04:00:00 EST 1986 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00283a018· OSTI ID:7129851

Timken, H K.C.; Janes, N; Turner, G L; Lambert, S L; Welsh, L B; Oldfield, E

The authors have obtained solid-state /sup 17/O NMR spectra of /sup 17/O-enriched gallosilicates (gallium analogues of zeolite Na-X, sodalite, and Ba/sup 2 +/-exchange sodalite) and the porous aluminophosphates (AlPO/sub 4/-5, AlPO/sub 4/-11, and AlPO/sub 4/-17). The spectra yield nuclear quadrupole coupling constants (e/sup 2/qQ/h), electric field gradient tensor asymmetry parameters (eta), and isotropic chemical shifts (delta/sub i/) for the chemically distinct oxygens in the Si-O-Ga, Si-O-Si, and Al-O-P fragments. The e/sup 2/qQ/h values for these species, and for Si-O-Si and Si-O-Al in Na-A and Na-Y zeolites, are analyzed in terms of a Townes-Dailey theory, and the results are compared with the predictions of a previous wholly empirical approach. The results suggest that the empirical approach gives the best agreement between experiment and prediction when nonframework counterions are present (e.g., Si-O-Al, Si-O-Ga), but that the Townes-Dailey approximation yields the most accurate predictions in the absence of such species (e.g., Al-O-P).

• Research Organization: Univ. of Illinois, Urbana-Champaign
• DOE Contract Number: FG22-83PC60779
• OSTI ID: 7129851
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:23; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALUMINIUM COMPOUNDS
CHEMICAL SHIFT
COUPLING CONSTANTS
DATA
EVEN-ODD NUCLEI
EXPERIMENTAL DATA
GALLIUM COMPOUNDS
INFORMATION
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
MATERIALS
MINERALS
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
OXYGEN 17
OXYGEN COMPOUNDS
OXYGEN ISOTOPES
PHOSPHATES
PHOSPHORUS COMPOUNDS
RESONANCE
SILICATES
SILICON COMPOUNDS
SOLIDS
SPECTRA
STABLE ISOTOPES
ZEOLITES