title: Exclusive π Encapsulation of Light Alkali Metal Cations by a Neutral Molecule.
abstract: Cation-π interactions are one of the most important classes of noncovalent bonding, and are seen throughout biology, chemistry, and materials science. However, in almost every documented case, these interactions play only a supporting role to much stronger covalent or dative bonds, thus making examples of exclusive cation-π bonding exceedingly rare. In this study, a neutral diboryne molecule is found to encapsulate the light alkali metal cations Li(+) and Na(+) in the absence of a net charge, covalent bonds, or lone-pair donor groups. The resulting encapsulation complexes are, to our knowledge, the first structurally authenticated species in which a neutral molecule binds the light alkali metals exclusively through cation-π interactions.
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Rüdiger
authors.initials: R
authors.lastname: Bertermann
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany). h.braunschweig@uni-wuerzburg.de.
authors.forename: Holger
authors.initials: H
authors.lastname: Braunschweig
authors.affiliation: Institut für Physikalische und Theoretische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Philipp
authors.initials: P
authors.lastname: Constantinidis
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Theresa
authors.initials: T
authors.lastname: Dellermann
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Rian D
authors.initials: RD
authors.lastname: Dewhurst
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: William C
authors.initials: WC
authors.lastname: Ewing
authors.affiliation: Institut für Physikalische und Theoretische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Ingo
authors.initials: I
authors.lastname: Fischer
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Thomas
authors.initials: T
authors.lastname: Kramer
authors.affiliation: Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Jan
authors.initials: J
authors.lastname: Mies
authors.affiliation: Department of Chemical Sciences, Tezpur University, Napaam 784028, Assam (India).
authors.forename: Ashwini K
authors.initials: AK
authors.lastname: Phukan
authors.affiliation: Department of Chemistry, School of Life Sciences, University of Sussex, Brighton BN1 9QJ, Sussex (UK).
authors.forename: Alfredo
authors.initials: A
authors.lastname: Vargas
keywords: alkali metals; boron; cation-π interactions; lithium; sodium