Abstract
A theoretical study of Li90P90, which possesses a circular double-helix structure that resembles the Watson-Crick DNA structure, is reported. This is a new bonding motif in inorganic chemistry. The calculations show that the molecule might become synthesized and that it could be a model for other inorganic species which possess a double-helix structure. Running rings: Theoretical prediction of the existence of inorganic double-helical toroid-like structures at the atomic level is reported. The geometry, electronic, and structural properties of an unusually simple circular double helix made of 90 phosphorus and 90 lithium atoms were studied using ab initio calculations. The shape of this cluster is very similar to nature's circular DNA (see graphic).
| Original language | English |
|---|---|
| Pages (from-to) | 2431-2435 |
| Number of pages | 5 |
| Journal | Chemistry - A European Journal |
| Volume | 20 |
| Issue number | 9 |
| DOIs | |
| State | Published - Feb 24 2014 |
| Externally published | Yes |
Keywords
- ab initio calculations
- clusters
- double-helical toroid
- lithium
- phosphorus