The Department of Chemistry’s staff and research programmes place it at the leading edge of scientific research. The national and international research carried out in the Department has been recognised by the award of a grade 4 rating in the Research Selectivity Exercise.
Research in the Chemistry Department is divided into four main themes:
Centre for Chemical Biology:
Biocatalysis and biotransformations; computational chemistry; medicinal chemistry and drug design; protein engineering; target synthesis.
Environmentally sustainable solvents; atom efficient and polymerisation catalysis.
Atmospheric chemistry; electrochemistry; free radicals in solution; gas phase dynamics; interfaces; laser spectroscopy.
The laboratories are modern and spacious and are broadly divided into their central activities; biochemical, computational, instrumental, and synthetic.
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The anodic dissolution of metals is an important topic for battery design, material finishing and metal digestion. Ionic liquids are being used in all of these areas but the research on the anodic dissolution is relatively few in these media. This study investigates the behaviour of 9 metals in an ionic liquid [C4mim][Cl] and a deep eutectic solvent, Ethaline, which is a 1:2 mol ratio mixture of choline chloride and ethylene glycol. It is shown that for the majority of metals studied a quasi-...
Abbott, Andrew P.; Frisch, Gero; Hartley, Jennifer; Karim, Wrya O.; Ryder, Karl S.
The millimetre wave spectrum of linalool (C10H18O) was recorded and assigned in the region 48-63 GHz whilst the millimetre wave spectrum of verbenone (C10H14O) was recorded and assigned in the region 48-69 GHz. Calculations at the MP3/6-31++g(d,p) and B3LYP/aug-cc-pVTZ levels of theory on both molecules, identified around 60 conformers of linalool and a single conformer of verbenone. The lowest energy conformers of linalool and verbenone are in good agreement with the fitted rotational and ce...
Allpress, Stephanie Marie
Isoform selective histone deacetylase (HDAC) inhibitors are urgently required to investigate HDAC isoform phenotypes and provide targeted therapeutics. Class 1 HDACs (1, 2 and 3) are recruited into large multi-subunit co-repressor complexes for maximal activity. However, little attention has been paid to targeting the disruption of these protein-protein interactions (PPIs) and so represents a novel approach to develop more specific therapeutics and chemical probes. This thesis describes the ...
Robertson, Naomi Stephanie
Metal processing is commonly carried out using hydrometallurgy or pyrometallurgy. These two techniques, whilst widespread, have inherent issues associated with selectivity and efficiency. The aim of this study is to investigate the use of ambient temperature ionic liquids (IL) to dissolve and recover metals from ionic media. The first stage of the study involved the development of a new stable reference electrode for use in IL media. This was used to obtain activity coefficients for three di...
Hartley, Jennifer Marie
Resonance Raman microspectroscopy has been widely used to study the structure and dynamics of porphyrins and metal complexes containing the porphyrin ligand. Here, we have demonstrated that the same technique can be adapted to examine the mechanism of a homogeneously-catalysed reaction mediated by a transition-metal-porphyrin complex. Previously it has been challenging to study this type of reaction using in situ spectroscopic monitoring due to the low stability of the reaction intermediates ...
Zardi, Paolo; Gallo, Emma; Solan, Gregory A.; Hudson, Andrew J.
Mixtures of metal salts with complexing agents, such as urea, form liquids, which are known as deep eutectic solvents (DESs). This has previously been applied to metal salts such as ZnCl₂, AlCl₃ and CrCl₃.6H₂O. The aim of this thesis was to see if this model could be expanded to include alkali metal salts. Some of the hydrogen bond donors (HBDs) investigated were found to form liquid mixtures with a limited number of alkali metal salts, which showed melting temperatures below 25 °C. Utilising...
Davis, Stefan John
Molecularly imprinted polymers (MIP) are gaining increasing interest thanks to their low cost of manufacturing, robustness and stability compared to their bio-analogues such as antibodies. The molecular imprinting process can be defined as the generation of molecular recognition sites in a synthetic polymer. The template-derived sites thus created within the polymeric matrix allow MIPs (often referred as plastic antibodies, due to their synthetic nature) to selectively recognise and bind the ...
The electrodeposition of chromium is a technologically vital process, which is principally carried out using aqueous chromic acid. In the current study, it is shown that eutectic mixtures of urea and hydrated chromium(III) chloride provide a liquid which reduces the toxicological issues associated with the current aqueous Cr(VI) electroplating solution. Using EXAFS, mass spectrometry and UV-Vis spectroscopy, it is shown that chromium is present predominantly as a cationic species. Conductivit...
Abbott, Andrew P.; Al-Barzinjy, Azeez A.; Abbott, Paul D.; Frisch, Gero; Harris, Robert C.... et al.
Highly non-linear dynamical systems, such as those found in atmospheric chemistry, necessitate hierarchical approaches to both experiment and modelling in order to ultimately identify and achieve fundamental process-understanding in the full open system. Atmospheric simulation chambers comprise an intermediate in complexity, between a classical laboratory experiment and the full, ambient system. As such, they can generate large volumes of difficult-to-interpret data. Here we describe and impl...
Wyche, K. P.; Monks, Paul S.; Smallbone, K. L.; Hamilton, J. F.; Alfarra, M. R.... et al.
This research concerns a new generation of phosphorus ligands bearing short and branched perfluoroalkyl or perfluoropolyether substituents of the fluorine content and their coordination chemistry as an alternative ligands and metal complexes having a potential application in fluorous biphase system in all common organic solvents. A series of new perfluoroalkylated arylphosphines with the general formula of P(C₆H₄-p-R)₃, where R = OC₂H₄OC₄F₉, OCH₂C₄F₉, or CH₂OCF₂ (OCF₂CF₂)₂OCF₃; aryl phosphon...
Ajlouni, Amin Fathi Amin
Global energy consumption was reported at 4.1 x 10²⁰ J (equivalent to 13 terawatts) in 2005, expected to more than triple by the end of the century based on projected population and economic growth. These rapidly increasing energy demands coupled with concerns over climate change as well as depletion of fossil fuel supplies has led to intensive efforts to increase the efficiency of current processes of energy production, conversion and recovery. Thermoelectric materials have in recent years e...
This thesis describes the quantification of biogenic and anthropogenic trace gases using the highly sensitive spectroscopic technique of broadband cavity enhanced absorption spectroscopy (BBCEAS). This technique uses a high finesse optical cavity to make absorption measurements over extended path lengths within a compact instrument and over wavelength ranges that are sufficiently broad to enable several overlapping absorbers to be quantified simultaneously. Here, BBCEAS was applied to measure...
Adams, Thomas John
Ion–molecule reactions between clusters of H₂/D₂ and O₂ in liquid helium nanodroplets were initiated by electron-induced ionization (at 70 eV). Reaction products were detected by mass spectrometry and can be explained by a primary reaction channel involving proton transfer from H₃+ or H₃+(H₂)n clusters and their deuterated equivalents. Very little HO₂+ is seen from the reaction of H₃+ with O₂, which is attributed to an efficient secondary reaction between HO₂+ and H₂. On the other hand HO₄+ i...
Renzler, Michael; Ralser, Stefan; Kranabetter, Lorenz; Barwa, Erik; Scheier, Paul... et al.
The title compound, C21H18N2O, crystallized with two independent molecules (A and B) in the asymmetric unit. In molecule A, the central pyridine ring forms dihedral angles of 14.55 (13) and 39.14 (12)° with the terminal phenyl and benzene rings, respectively. The latter rings make a dihedral angle of 33.06 (13)° with each other. The corresponding values for molecule B are 26.86 (13), 41.82 (12) and 38.99 (13)°, respectively. In the crystal, the B molecules are linked via a pair of weak C-...
Mohamed, S. K.; Akkurt, M.; Abdelhamid, A. A.; Singh, Kuldip; El-Remaily, M. A. A.
In the title compound, C19H18O, the cyclohexene ring has an envelope conformation with the methine C atom on the flap. The phenyl and methylphenyl rings form a dihedral angle of 85.93 (11)°. The crystal packing is consolidated by van der Waals forces and weak C-H...[pi] interactions.
Mohamed, S. K.; Akkurt, M.; Abdelhamid, A. A.; Singh, Kuldip; Allah, O. A. A. A.
In the title moleclue, C16H13ClN2O2, the cyclohexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, molecules are linked by pairs of N-H...N hydrogen bonds, forming inversion dimers with R22(12) ring motifs. These dimers are further linked by N-H...O hydrogen bonds into chains along . Weak C-H...O hydrogen bonds are also present.
Mohamed, S. K.; Akkurt, M.; Abdelhamid, A. A.; Singh, Kuldip; Allahverdiyev, M. A.
In the title compound, C21H23N3O2, the indolin-2-one group is essentially planar, with a maximum deviation of 0.016 (2) Å for the N atom, and makes a dihedral angle of 84.38 (14)° with the benzene ring. The =N-N(H)-C(=O)-C- torsion angle is 0.9 (3)°. In the crystal, molecules are linked into a three-dimensional network via N-H...O and C-H...O hydrogen bonds. In addition, a C-H...[pi] interaction was observed.
Mohamed, S. K.; Akkurt, M.; Albayati, M. R.; Singh, Kuldip; Potgieter, H.
The title compound, C9H12N2OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothiocyanate, malononitrile and aminoethanol. The -C(H2)-N(H)-(C=S)-N(H)- methylthiourea-methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13 (9)°. The N-C-C-O torsion angle is 72.8 (2)°. In the crystal, molecules are connected by N-H...O, O-H...S and N-H...O hydrogen bonds, forming a three-dimensional network.
Abdelhamid, A. A.; Mohamed, S. K.; Akkurt, M.; Singh, Kuldip; Potgieter, H.
The title molecule, C9H10BrNO2, excluding methylene H atoms and the C-OH group, is essentially planar, with a maximum deviation of 0.037 (2) Å for the N atom. The N-C-C-O torsion angle is -63.1 (3)°. The molecular structure is stabilized by a weak intramolecular N-H...O(carbonyl) hydrogen bond, forming an S(6) motif. In the crystal, molecules are linked by O-H...O and C-H...O hydrogen bonds, forming a three-dimensional network.
Mohamed, S. K.; Akkurt, M.; Elhamid, A. A. A.; Singh, Kuldip; Potgieter, H.