title: Stereo-electronic interaction in complex molecules: cyclopropyl conjugation with Lewis acidic centres across connecting carbon-carbon triple bonds.
abstract: Bis(cyclopropylethynyl)zirconocene shows a bisected conformation in the crystal: the magnitude of the stabilizing conjugation of the Cp2Zr Lewis acid centre with the cyclopropyl substituent across the connecting C[triple bond]C triple bond is assessed by DFT calculations and a comparison with a series of cationic organic and organometallic reference systems.
authors.affiliation: Organisch-Chemisches Institut, Universität Münster, Corrensstrasse 40, 48149, Münster, Germany. erker@uni-muenster.de
authors.forename: Gereon
authors.initials: G
authors.lastname: Dierker
authors.forename: Gerald
authors.initials: G
authors.lastname: Kehr
authors.forename: Roland
authors.initials: R
authors.lastname: Fröhlich
authors.forename: Gerhard
authors.initials: G
authors.lastname: Erker
authors.forename: Stefan
authors.initials: S
authors.lastname: Grimme