title: Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation.
abstract: The effect of pressure on the intranuclear M···M separation and intermolecular secondary interactions in the dinuclear chromium Pacman complex [Cr2(L)](C6H6) was evaluated because this compound contains both a short Cr···Cr separation and an exogenously bound molecule of benzene in the solid state. The electronic structure of [Cr2(L)] was determined by electron paramagnetic resonance spectroscopy, SQUID magnetometry, and density functional theory calculations and shows a diamagnetic ground state through antiferromagnetic exchange, with no evidence for a Cr-Cr bond. Analysis of the solid-state structures of [Cr2(L)](C6H6) at pressures varying from ambient to 3.0 GPa shows little deformation in the Cr···Cr separation, i.e., no Cr-Cr bond formation, but instead a significantly increased interaction between the exogenous arene and the chromium iminopyrrolide environment. It is therefore apparent from this analysis that [Cr2(L)] would be best exploited as a rigid chemical synthon, with pressure regulation being used to mediate the approach and secondary interactions of possible substrates.
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Charlotte J
authors.initials: CJ
authors.lastname: Stevens
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Alessandro
authors.initials: A
authors.lastname: Prescimone
authors.affiliation: EPSRC National EPR Facility, School of Chemistry and Photon Science Institute, University of Manchester , Oxford Road, Manchester M13 9PL, U.K.
authors.forename: Floriana
authors.initials: F
authors.lastname: Tuna
authors.affiliation: EPSRC National EPR Facility, School of Chemistry and Photon Science Institute, University of Manchester , Oxford Road, Manchester M13 9PL, U.K.
authors.forename: Eric J L
authors.initials: EJ
authors.lastname: McInnes
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Simon
authors.initials: S
authors.lastname: Parsons
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Carole A
authors.initials: CA
authors.lastname: Morrison
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Polly L
authors.initials: PL
authors.lastname: Arnold
authors.affiliation: EaStCHEM School of Chemistry, University of Edinburgh , David Brewster Road, Edinburgh EH9 3FJ, U.K.
authors.forename: Jason B
authors.initials: JB
authors.lastname: Love