Article ID Journal Published Year Pages File Type
5417487 Journal of Molecular Structure: THEOCHEM 2009 4 Pages PDF
Abstract

Periodane is a molecule in which each of the atoms from the second period other than neon occur exactly once. The isomers of a neon analogue of periodane are studied computationally using density functional theory and Møller-Plesset perturbation theory. We were unable to find stable structures in which neon was tightly bound; all the minima are found to be weakly bound NCB(F)OLi ⋯ Ne complexes. However, the novel NCB(F)OLi and NCBF molecules were found during the search.

Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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