High Pressure Coordination Chemistry
Lead Research Organisation:
University of Nottingham
Department Name: Sch of Chemistry
Abstract
We recently found that by applying high pressure to crystals of a molecule containing a palladium metal atom and three sulfur atoms caused it to polymerise into a chain. The crystal also changed colour from orange to really deep black. This happened at a pressure of around 44,000 atmospheres and we are trying to find out the reasons for the colour change by doing spectroscopic measurements and carrying out theoretical calculations. Very recently we found another molecule containing palladium and six sulfur atoms which has not one but two colour changes: as the pressure is applied the crystals of this compound first turn from blue to grey, then at higher pressure they turn from grey to orange. We are going to look at some other palladium compounds, and some with other metals such as platinum and gold, to see what happens to them under pressure.We are also going to use pressure to look at what happens to molecules inside the channels of porous compounds made from metals such as copper. These are promising candidates for the efficient storage of gases like hydrogen which could be used as clean fuel sources for cars. We need to find out how and where the molecules interact with the inner surfaces of the channels, so that we can make them into better storage containers.The high pressure experiments are done in a small pressure cell only five centimeters across and we get very high pressures just by tightening some screws. We will be doing a lot of the work the UK's newest and biggest scientific facility, the Diamond Light Source in Oxfordshire, which produces very strong X-ray beams which we fire into the crystal in the high pressure cell - this lets us work out the structure of the molecules.
Publications
Allan DR
(2014)
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes.
in Acta crystallographica Section B, Structural science, crystal engineering and materials
Bailey Daniel
(2013)
High pressure studies of d-block thioether co-ordination complexes
David R. Allan
(2011)
High-Pressure Studies of Small-Molecule Systems
David R. Allan
(2013)
How to Perform High-Pressure Single-Crystal Diffraction at Diamond
Henry L.S. Wong (Author)
(2013)
Thesis Submission by Henry L.S. Wong
Tidey J
(2014)
Structural chemistry of metal coordination complexes at high pressure
in Coordination Chemistry Reviews
Tidey JP
(2016)
High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex.
in Acta crystallographica Section B, Structural science, crystal engineering and materials
Wong HL
(2013)
Bowing to the pressure of p···p interactions: bending of phenyl rings in a palladium(II) thioether crown complex.
in Angewandte Chemie (International ed. in English)
Description | From an initial discovery [that applying high pressure to crystals of a palladium metal complex caused a number of phenomena including polymerisation and colour, geometric and conformational changes] we developed a line of research that has revealed some unprecedented effects when analogous complexes are compressed. These include pressure-induced pi-pi stacking, dramatic geometric distortion and multiple colour changes. This work has been conducted on dedicated in-house facilities supplemented by access to Diamond Light Source, the UK's synchrotron source of very bright X-rays. We expect five or six major papers to arise from this grant. |
Exploitation Route | Our discovery of unprecedented effects in palladium complexes has already stimulated work on other, often unrelated, metal complexes. Our methodological developments are relevant to others doing high pressure work. |
Sectors | Energy Environment |
URL | http://scripts.iucr.org/cgi-bin/paper?S2052520614008786 |
Description | CIF funding for new high pressure crystallography laboratory |
Amount | £273,264 (GBP) |
Funding ID | CAP841 |
Organisation | Higher Education Funding Council for England |
Sector | Public |
Country | United Kingdom |
Start | 03/2009 |
End | 02/2011 |
Description | Core Chemistry Equipment |
Amount | £50,000 (GBP) |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 01/2013 |
End | 03/2013 |
Title | Agilent Technologies Application Note on High Pressure Crystallography |
Description | Non-refereed publication by A. J. Blake (Nottingham) O. Presly (Agilent) and D. R. Allan (Diamond Light Source). |
Type Of Technology | New/Improved Technique/Technology |
Description | Chair of Diamond Peer Review Panel 5 |
Form Of Engagement Activity | A formal working group, expert panel or dialogue |
Part Of Official Scheme? | No |
Primary Audience | Participants in your research or patient groups |
Results and Impact | Appointment for 2012-2014 Previously a Panel Member 2011-2012 . |
Year(s) Of Engagement Activity |
Description | High-Pressure Crystallography Using Synchrotron Radiation |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Primary Audience | |
Results and Impact | Invited lecture delivered at Department of Chemistry, University of Oxford. |
Year(s) Of Engagement Activity | 2011 |
Description | High-Pressure Single-Crystal Diffraction Studies on the Small-Molecule Crystallography Beamline, I19, at Diamond Light Source |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | |
Results and Impact | Lecture. |
Year(s) Of Engagement Activity | 2010 |
Description | Research Briefing |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Primary Audience | |
Results and Impact | An outline of work carried out under this award was included in a presention made to EPSRC's Communications Team during a meeting hosted by Diamond Light Source on 26/2/2010. |
Year(s) Of Engagement Activity | 2010 |
Description | Study of Palladium Thioether Complexes at High Pressure |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Participants in your research or patient groups |
Results and Impact | Lecture at International Union of Crystallography Congress in Madrid. |
Year(s) Of Engagement Activity | 2012 |
Description | The Big Squeeze: High Pressure Structural Studies of Small Molecules |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | |
Results and Impact | Inaugural Research Lecture as Adjunct Professor, delivered at the Opening Ceremony for the Centre for Advanced Materials and Industrial Chemistry (CAMIC) at RMIT University, Melbourne, Australia. |
Year(s) Of Engagement Activity | 2012 |
Description | The Big Squeeze: High Pressure Structural Studies of Small Molecules |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Primary Audience | |
Results and Impact | Invited Lecturer at the Organic Chemistry Institute, University of Zurich, 5 May 2009. |
Year(s) Of Engagement Activity | 2009 |
Description | The Big Squeeze: High Pressure Structural Studies of Small Molecules |
Form Of Engagement Activity | A talk or presentation |
Part Of Official Scheme? | No |
Primary Audience | Participants in your research or patient groups |
Results and Impact | Invited Lecture at the Organic Chemistry Institute, University of Zurich, 5 May 2009. |
Year(s) Of Engagement Activity | 2009 |