Rationalizing the dependence of electronic properties on site geometry in ZSM-5
โ Scribed by A. Chatterjee; R. Vetrivel
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 354 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0144-2449
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๐ SIMILAR VOLUMES
Semi-empirical LCAO MO theory has been used to calculate ground-state wavefunctions for modets of the osidized form of the two-iron ferredoxins. A large number of conformers were examined. Geometricaf variafions included Fe-Fe distance, Sb-Sb distance, and S,-Fe-S, angle. Ground-state wnveftinctions
Broad-line 'H NMR and 'H MAS NMR were used to determine the geometry of the Bransted acidic sites in zeolites H-ZSM-5. The signals obtained correspond to bridging hydroxyl groups in Si-OH-Al arrangements with an H-Al distance of 0.246-0.252 nm. The concentration of hypothetical SiOHSi groups must be