Materials Chemistry Group

Functional (pharmaceutical) molecular solids

The design of functional molecular materials has advanced tremendously through cocrystallisation: the assembly of multiple chemical species in the same crystal lattice. Underlying cocrystals formation are rules that guide molecular recognition and self-assembly. We are deciphering this "intermolecular language" by combining experimental work with data mining and molecular modelling. Our particular interest is constructing functional materials through weak supramolecular interactions, such as hydrogen and halogen bonds.

Surface dynamics of molecular solids

Properties of crystalline solids are usually measured as a bulk property, and the results interpreted in terms of crystal structure. However, such a description does not adequately describe the surface of molecular crystals, at which the distribution of forces on a molecule is non-symmetrical, resulting in high mobility and reactivity. The atomic force microscope (AFM) is a unique tool for studying such surface-related dynamics.

 

Teaching

 

Current teaching includes a third year undergraduate lecture course on the Chemistry of Materials.  The course examines a range of organic, metal-organic and inorganic materials and demonstrates their varied uses. We will, in particular, identify important structural features relevant to such areas as the pharmaceutical and petrochemical industries and to naturally occurring biomaterials such as bone. The underlying chemistry and properties will be shown to be often sensitive to the way that the constituent atoms and molecules are packed together. This aspect of solid state control will be examined in some detail.


The development and design of new materials, incorporating structural characteristics of inorganic solids and functionality of organic molecules will be described.


The control of crystal morphology is important in many applications, and this will be discussed in the context of templating crystal growth, both in Nature and in the laboratory, and of crystal engineering. Numerous important materials, including many found in Nature, are in fact inorganic-organic composites, and these will also be discussed in detail.


From paracetamol to petrol to proteins to bone – the importance of the Chemistry of Materials will be explored in these lectures.

Also, as part of the Cambridge fourth year program I teach a course on Organic Solids that builds on the lecture course Chemistry of Materials given in Part II (although it is not required that students have taken this course). The first six lectures of the course, given by me, will cover aspects of crystal chemistry, structure and reactivity of organic solids. Examples of lattice controlled reactions will be given, including photochemical and thermal. Particular emphasis will be placed on how solid state properties impact on the development of drug products in the pharmaceutical industry. Experimental approaches to understanding molecular packing will be described and will lead into the second part of the course, given by my colleague, Dr Graeme Day.

Publications

Indomethacin methyl ester
AV Trask, N Shan, W Jones, WDS Motherwell
Acta Crystallographica Section E Structure Reports Online
(2004)
60
Solvent-drop grinding: green polymorph control of cocrystallisation
AV Trask, WDS Motherwell, W Jones
Chemical Communications
(2004)
4
The crystal structure of an unstable polymorph of beta-D-allose
PA Bonnet, J van de Streek, AV Trask, WDS Motherwell, W Jones
CrystEngComm
(2004)
6
Identification of supramolecular templates: design of solid-state photoreactivity using structural similarity
N Shan, W Jones
Tetrahedron Letters
(2003)
44
A Density Functional Theory Study of Catalytic trans-Esterification by tert-Butoxide MgAl Anionic Clays
HC Greenwell, S Stackhouse, PV Coveney, W Jones
Journal of Physical Chemistry B
(2003)
107
Quinolinium fumarate
N Shan, E Batchelor, W Jones
Acta Crystallographica Section E Structure Reports Online
(2003)
59
The structure of cyclohexane-1, 3cis, 5cis-tricarboxylic acid, determined from powder X-ray diffraction data
H Nowell, N Shan, JP Attfield, W Jones, WDS Motherwell
Crystal Engineering
(2003)
6
Computer simulation of interlayer arrangement in cinnamate intercalated layered double hydroxides
HC Greenwell, W Jones, SP Newman, PV Coveney
Journal of Molecular Structure
(2003)
647
Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid : base complexes
N Shan, AD Bond, W Jones
New Journal of Chemistry
(2003)
27
A green chemistry approach to the synthesis of a crystalline organic inclusion compound
N Shan, W Jones
Green Chemistry
(2003)
5

Research Interest Groups

Telephone number

01223 336468

Email address