title: Convex and Concave Encapsulation of Multiple Potassium Ions by Sumanenyl Anions.
abstract: Herein we report the novel complex consisting of di- and tripotassiumsumanenide, K7(C21H10(2-))2(C21H9(3-))·8THF (2), which was prepared by the treatment of sumanene (C21H12, 1) with excess K metal in THF. The X-ray structural determination revealed unique self-assembly of six potassium ions sandwiched by convex faces of two sumanenyl trianions in addition to novel interaction involving all 15 carbon atoms of three Cp-like moieties on the concave surface of the sumanenyl bowls outside the sandwich. The unique structural features of 2 are rationalized with the help of DFT calculations.
authors.affiliation: †Department of Chemistry, University at Albany, State University of New York, 1400 Washington Avenue, Albany, New York 12222, United States.
authors.forename: Sarah N
authors.initials: SN
authors.lastname: Spisak
authors.affiliation: †Department of Chemistry, University at Albany, State University of New York, 1400 Washington Avenue, Albany, New York 12222, United States.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Wei
authors.affiliation: †Department of Chemistry, University at Albany, State University of New York, 1400 Washington Avenue, Albany, New York 12222, United States.
authors.forename: Natalie J
authors.initials: NJ
authors.lastname: O'Neil
authors.affiliation: ‡Department of Biological and Chemical Sciences, Illinois Institute of Technology, Chicago, Illinois 60616, United States.
authors.forename: Andrey Yu
authors.initials: AY
authors.lastname: Rogachev
authors.affiliation: §Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Yamada-oka, Suita, Osaka 565-0871, Japan.
authors.forename: Toru
authors.initials: T
authors.lastname: Amaya
authors.affiliation: §Department of Applied Chemistry, Graduate School of Engineering, Osaka University, Yamada-oka, Suita, Osaka 565-0871, Japan.
authors.forename: Toshikazu
authors.initials: T
authors.lastname: Hirao
authors.affiliation: †Department of Chemistry, University at Albany, State University of New York, 1400 Washington Avenue, Albany, New York 12222, United States.
authors.forename: Marina A
authors.initials: MA
authors.lastname: Petrukhina