Journal
NATURE CHEMISTRY
Volume 5, Issue 10, Pages 846-852Publisher
NATURE RESEARCH
DOI: 10.1038/NCHEM.1754
Keywords
-
Categories
Funding
- Materials Research Science and Engineering Center programme (National Science Foundation (NSF)-Division of Materials Research) [(DMR)1121053]
- Conversion of Energy Through Molecular Platforms-The Integrative Graduate Education and Research Traineeship programme (NSF-Division of Graduate Education) [(DGE)0801627]
- California NanoSystems Institute, Materials Research Lab.
- NSF (Division of Computer and Network Systems) [(CNS)-0960316]
- NSF [(TG)-DMR130005]
Ask authors/readers for more resources
The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry, rooted in the atomic shell structure. Within compounds, Group I elements, for example, invariably assume the +1 oxidation state, and their chemical properties differ completely from those of the p-block elements. These general rules govern our understanding of chemical structures and reactions. Here, first-principles calculations show that, under pressure, caesium atoms can share their 5p electrons to become formally oxidized beyond the +1 state. In the presence of fluorine and under pressure, the formation of CsFn (n > 1) compounds containing neutral or ionic molecules is predicted. Their geometry and bonding resemble that of isoelectronic XeFn molecules, showing a caesium atom that behaves chemically like a p-block element under these conditions. The calculated stability of the CsFn compounds shows that the inner-shell electrons can become the main components of chemical bonds.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available