Inorganic double-helix nanotoroid of simple lithium-phosphorus species

Alexander S. Ivanov, Alexander I. Boldyrev, Gernot Frenking

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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 languageEnglish
Pages (from-to)2431-2435
Number of pages5
JournalChemistry - A European Journal
Volume20
Issue number9
DOIs
StatePublished - Feb 24 2014
Externally publishedYes

Funding

FundersFunder number
National Science FoundationCHE-1057746, CTS-0321170
National Science Foundation1057746

    Keywords

    • ab initio calculations
    • clusters
    • double-helical toroid
    • lithium
    • phosphorus

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