title: CrCpTp: a high-spin Cr(II) sandwich complex with a large structural distortion.
abstract: CrCpTp was synthesized from the reaction of [CrCpCl](2) and KTp. Magnetic measurements indicate it to have a high-spin (S = 2) electronic configuration from 5 to 300 K. A single-crystal X-ray study reveals bond lengths typical for a high-spin configuration and a pronounced Jahn-Teller distortion. The nature of this distortion was probed by DFT calculations and the variation in bond lengths successfully reproduced. The metal-based HOMO is significantly antibonding with respect to a single pyrazolyl ring only.
authors.affiliation: Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, U.K.
authors.forename: Tim J
authors.initials: TJ
authors.lastname: Brunker
authors.forename: Jennifer C
authors.initials: JC
authors.lastname: Green
authors.forename: Dermot
authors.initials: D
authors.lastname: O'Hare