Coronene‐Potassium(THF) 2 (tmeda): X‐Ray Structure and MNDO Calculations of a Half‐Sandwich Contact Ion Pair as a Model for Potassium(Adsorbate)‐Graphite Surface Interactions | Zendy

Janiak Christoph | Zendy; Hemling Holger | Zendy

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Coronene‐Potassium(THF) 2 (tmeda): X‐Ray Structure and MNDO Calculations of a Half‐Sandwich Contact Ion Pair as a Model for Potassium(Adsorbate)‐Graphite Surface Interactions

Author(s) -

Janiak Christoph,

Hemling Holger

Publication year - 1994

Publication title -

chemische berichte

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.667

H-Index - 136

eISSN - 1099-0682

pISSN - 0009-2940

DOI - 10.1002/cber.19941270712

Subject(s) - chemistry , mndo , coronene , tetramethylethylenediamine , tetrahydrofuran , potassium , diethyl ether , dication , ion , monomer , crystallography , crystallization , inorganic chemistry , molecule , organic chemistry , solvent , polymer

Crystallization of potassium(1+) and the radical ion coronene(1‐) from a mixture of tetramethylethylenediamine (tmeda), tetrahydrofuran (THF), and diethyl ether yields a monomeric solvated ion pair 1 with potassium unsymmetrically π‐coordinated to an external ring of the polyaromatic system according to an X‐ray structure determination and in agreement with a MNDO theoretical investigation.

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