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Instruments / Technical Area	Publication Details	Published	Actions
I15-Extreme Conditions I19-Small Molecule Single Crystal Diffraction	Structural chemistry of metal coordination complexes at high pressure Jeremiah Tidey , Henry Wong , Martin Schröder , Alexander J. Blake Coordination Chemistry Reviews 277-278, 187 - 207 DOI: 10.1016/j.ccr.2014.04.004 Diamond Proposal Number(s): [1022, 1216, 3031, 6409, 7532] Show Abstract ▼ Abstract: The application of pressures of up to about 10 GPa may induce significant geometric, configurational, conformational and packing changes in molecular solids. This review highlights and describes recent advances in high pressure studies of coordination complexes, many of which have been conducted at synchrotrons or other central facilities. The main focus is on the wide range of geometric changes which occur with pressure. In some cases these changes have associated physical effects, and the review describes materials exhibiting negative linear compressibility, spin cross-over phenomena, magnetism and molecular conduction, as well as detailing the exciting possibilities for future developments in this area of research.	Oct 2014
I19-Small Molecule Single Crystal Diffraction	High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes Dave Allan , Daniel Bailey , Nigel Bird , Alexander J. Blake , Neil R. Champness , Deguang Huang , Conal P. Keane , Jonathan Mcmaster , Tim Prior , Jeremiah Tidey , Martin Schröder Acta Crystallographica Section B Structural Science, Crystal Engineering And Materials 70, 469 - 486 DOI: 10.1107/S2052520614008786 PMID: 24892594 Diamond Proposal Number(s): [1022, 1216, 3031, 6409, 7532] Show Abstract ▼ Abstract: The mononuclear macrocyclic Pd-II complex cis[PdCl2([9]aneS(3))]([9]aneS(3) = 1,4,7-trithiacyclo-nonane) converts at 44 kbar into an intensely coloured chain polymer exhibiting distorted octahedral coordination at the metal centre and an unprecedented [1233] conformation for the thioether ligand. The evolution of an intramolecular axial sulfur-metal interaction and an intermolecular equatorial sulfur-metal interaction is central to these changes. High-pressure crystallographic experiments have also been undertaken on the related complexes [PtCl2([9]aneS(3))], [PdBr2([9]aneS(3))], [PtBr2([9]aneS(3))], [PdI2([9]aneS(3))] and [PtI2([9]aneS(3))] in order to establish the effects of changing the halide ligands and the metal centre on the behaviour of these complexes under pressure. While all complexes undergo contraction of the various interaction distances with increasing pressure, only [PdCl2([9]aneS(3))] undergoes a phase change. Pressure-induced I center dot center dot center dot I interactions were observed for [PdI2([9]aneS(3))] and [PtI2([9]aneS(3))] at 19 kbar, but the corresponding Br center dot center dot center dot Br interactions in [PdBr2([9]aneS(3))] and [PtBr2([9]aneS(3))] only become significant at much higher pressure (58 kbar). Accompanying density functional theory (DFT) calculations have yielded interaction energies and bond orders for the sulfur-metal interactions.	Jun 2014

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