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Inter- versus Intramolecular Structural Manipulation of a Dichromium(II) Pacman Complex through Pressure Variation

DOI: 10.1021/acs.inorgchem.5b02151 DOI Help

Authors: Charlotte J. Stevens (EaStCHEM) , Alessandro Prescimone (EaStCHEM) , Floriana Tuna (University of Manchester) , Eric J. L. Mcinnes (University of Manchester) , Simon Parsons (The University of Edinburgh) , Carole A. Morrison (EaStCHEM) , Polly L. Arnold (EaStCHEM) , Jason B. Love (EaStCHEM)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry , VOL 55 , PAGES 214 - 220

State: Published (Approved)
Published: January 2016
Diamond Proposal Number(s): 9205

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.

Subject Areas: Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction