Prediction of a linear polymer made of xenon and carbon

Eric C. Brown*, Arik Cohen, R. Benny Gerber

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

Electronic structure calculations predict the existence of a novel type of a chemically bound noble gas compound. The predicted species is an extended linear and periodic polymer, made of the repeat unit -(XeCC)-, where CC is the acetylenic group. The polymer has a strong partly ionic nature, with positive partial charge on the xenon atoms and a negative one on the CC groups. High energy barriers are found for the removal of a Xe atom from the chain, indicating high stability. This is the first polymer with a noble-gas-containing building block.

Original languageEnglish
Article number171101
JournalJournal of Chemical Physics
Volume122
Issue number17
DOIs
StatePublished - May 2005

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