Convex and Concave Encapsulation of Multiple Potassium Ions by Sumanenyl Anions

Sarah N. Spisak; Zheng Wei; Natalie J. O'Neil; Andrey Yu Rogachev; Toru Amaya; Toshikazu Hirao; Marina A. Petrukhina

doi:10.1021/jacs.5b06662

Convex and Concave Encapsulation of Multiple Potassium Ions by Sumanenyl Anions

Sarah N. Spisak
, Zheng Wei
, Natalie J. O'Neil
, Andrey Yu Rogachev
, Toru Amaya
, Toshikazu Hirao
, Marina A. Petrukhina

Chemistry

University at Albany

SUNY Albany
Illinois Institute of Technology
The University of Osaka

Research output: Contribution to journal › Article › peer-review

42 Scopus citations

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.

Original language	English
Pages (from-to)	9768-9771
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	137
Issue number	31
DOIs	https://doi.org/10.1021/jacs.5b06662
State	Published - Aug 12 2015

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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(C21H102-)2(C21H93-)·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.",

author = "Spisak, \{Sarah N.\} and Zheng Wei and O'Neil, \{Natalie J.\} and Rogachev, \{Andrey Yu\} and Toru Amaya and Toshikazu Hirao and Petrukhina, \{Marina A.\}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

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month = aug,

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doi = "10.1021/jacs.5b06662",

language = "English",

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T1 - Convex and Concave Encapsulation of Multiple Potassium Ions by Sumanenyl Anions

AU - Spisak, Sarah N.

AU - Wei, Zheng

AU - O'Neil, Natalie J.

AU - Rogachev, Andrey Yu

AU - Amaya, Toru

AU - Hirao, Toshikazu

AU - Petrukhina, Marina A.

PY - 2015/8/12

Y1 - 2015/8/12

N2 - Herein we report the novel complex consisting of di- and tripotassiumsumanenide, K7(C21H102-)2(C21H93-)·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.

AB - Herein we report the novel complex consisting of di- and tripotassiumsumanenide, K7(C21H102-)2(C21H93-)·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.

UR - https://www.scopus.com/pages/publications/84939216942

U2 - 10.1021/jacs.5b06662

DO - 10.1021/jacs.5b06662

M3 - Article

SN - 0002-7863

VL - 137

SP - 9768

EP - 9771

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 31

ER -

Convex and Concave Encapsulation of Multiple Potassium Ions by Sumanenyl Anions

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