Abstract
The templating role of organic amines for the formation of some layered and microporous aluminophosphates has been investigated by molecular dynamics simulations. In terms of the host-guest non-bonding interaction, some suitable template molecules can be well predicted for the formation of a given host. Through selection of the suitable templates, some compounds with specific structures can be rationally prepared in solvothermal system. This work will further assist in the molecular engineering of microporous functional materials.
| Original language | English |
|---|---|
| Pages (from-to) | 790-794 |
| Number of pages | 5 |
| Journal | Acta Chimica Sinica |
| Volume | 58 |
| Issue number | 7 |
| Publication status | Published - 2000 |
| Externally published | Yes |
Keywords
- Aluminophosphates
- Molecular dynamics simulations
- Rational synthesis
- Templating role