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

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 pi-coordinated to an external ring of the polyaromatic system according to an X-ray structure determination and in agreement with a MNDO theoretical investigation.