𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Siting of AI and bridging hydroxyl groups in ZSM-5: A computer simulation study

✍ Scribed by Klaus-Peter Schröder; Joachim Sauer; Maurice Leslie; C. Richard; A. Catlow


Book ID
107894491
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
326 KB
Volume
12
Category
Article
ISSN
0144-2449

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Siting of B, Al, Ga or Zn and bridging h
✍ Shuping Yuan; Jianguo Wang; Yongwang Li; Shaoyi Peng 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 184 KB

The siting of B, Al, Ga or Zn and bridging OH groups in the framework of mordenite was studied by ab initio Hartree-Fock MO methods. The basis set effect on the calculation results was investigated in details. It was shown that heteroatoms including B, Al, Ga and Zn prefer the same T sites, T 3 and

A new type of acidic hydroxyl groups in
✍ V.L. Zholobenko; L.M. Kustov; V.Yu. Borovkov; V.B. Kazansky 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 310 KB

HZSM-5 zeolites and H mordenite were studied using diffuse reflectance i.r. spectroscopy in the region of stretching vibrations of hydroxyls. A new type of acidic OH groups was detected that represents a bridged hydroxyl forming a strained intramolecular hydrogen bond with a neighboring oxygen atom.

Bridging hydrodyl groups in zeolitic cat
✍ Klaus-Peter Schröder; Joachim Sauer; Maurice Leslie; C. Richard; A. Catlow; John 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 517 KB

The structure and properties of the four possible bridging hydroxyl groups in silicon-rich H-faujasite (zcolite Y ) are studied by lattice-energy minimization carried out within the classical shell model. The most likely proton-accepting sites are the 0 1 and 03 oxygens. Their hydroxyl stretching fr