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

Abstract

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.