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The Effect of Hydrogen Bonding on the Nucleophilicity and Basicity of Fluorid...
In nucleophilic fluorination reactions it is extremely difficult to tune the reactivity of the fluoride anion in organic solution to give the desired product. Building on our... -
SANS studies of the micellar structure of C12-L-Carnitine and C14-L-Carnitine...
Acyl L-Carnitines are a group of novel surfactants with attractive physical and biological properties associated with their head group charge features. This work proposes to use... -
Proton migration in chromic materials as seen by in-situ simultaneous Neutron...
As part of a facility project aimed at developing a new sample environment allowing simultaneous in-situ neutron diffraction and Raman spectroscopy, we propose to study the... -
Determination of the Crystallographic and Magnetic structures of RbMnBr3, RbF...
We propose to study the crystal structures of RbMnBr3, RbFeBr3 and RbNiBr3 between 300 and 0.3 K. RbMnBr3 under goes two structural phase transition by reducing Rb coordination.... -
Hydrogen motion in ((CH3)4N)2MnBr4.
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Investigation of the hydrogen bonding and anisotropic displacement parameters...
We will investigate the structure of 4-chloroimidazole, which undergoes extreme anisotropic thermal expansion. This is believed from our initial x-ray results to be due to a... -
Characterising anion binding by analysis of the electron density distribution
The aim of our work is to use charge density analysis to gain insight into the process of binding relatively small anions by specifically designed small organic molecules. These... -
Structural basis for the 2D thermal expansion tensor of petalite, LiAlSi4O10
Phases in the lithia-alumina-silica phase diagram (LAS) are of great importance owing to the technologically property of ultra-low thermal expansion (ULTE) that they frequently... -
Structural characterization of a fully detuterated manganese Prussian Blue an...
The aim of this proposal is to perform a neutron diffraction determination of the first perdeuterated Mn-Prussian Blue (PB) analogue of composition: Mn(II)3 [Mn(III)(CN)6]2... -
Determination of the Crystallographic and Magnetic structures of RbMnBr3, RbF...
We propose to study the crystal structures of RbMnBr3, RbFeBr3 and RbNiBr3 between 300 and 0.3 K. RbMnBr3 under goes two structural phase transition by reducing Rb coordination.... -
Elucidating the Structure of [(LaCl)Ti28O40(OEt)38(X)]; but what is X?
Metal-doped TiO2 have particular applications as in catalysis of a range of reactions as well as in luminescence materials. Our strategy is to make well-defined molecular TixOy... -
Ordered structures in the new Topological Insulators
We propose to investigate the structure of the new ¿ordered¿ phases within the Bi2Se3-Bi2Te3 phase diagram of the newly discovered Topological Insulators. The bulk properties of... -
Unusual higher order incommensurate components in the magnetic structure of TmCu
This proposal forms a very specific part of our project to investigate complex magnetic structures in rare earth intermetallics. In extensive bulk measurements on high purity... -
Hydrogen-bond ordering in hexamethylenetetramine hexahydrate as a function of...
The title compound, more succinctly referred to as HMT-hydrate, is a rare example of a water-framework zeolite structure with an organic guest molecule hydrogen bonded to the... -
The effect of H/D isotopic replacement on the topology of the electron densit...
The Quantum Theory of Atoms in Molecules (QTAIM) is the quantum mechanical way of looking at molecular structures and bonding. Developed by Richard Bader, QTAIM is built on... -
Sinergic Raman and neutron diffraction measurements on SXD
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The influence of hydrogen bonding on the melting points of sulfonate-based pr...
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Structural studies of iridium hydrides
Oil is currently the primary raw material for all the carbon containing chemicals we take for granted and which are necessary for our modern life: pharmaceuticals, plastics,... -
Two-Dimensional Incommensurate Modulation in Melilite
We have prepared large single crystals of the melilite electroltyes Ln1+xCaxGa3O7+d; (Ln = La and Nd; x = 0 and 0.5) using a floating zone mirror furnace. We have characterised... -
Quantum Spin Ice ground states and Structural Disorder in non-Kramers rare-ea...
Pyrochlore oxides based on non-Kramers rare-earth ions, such as Pr3+ and Tb3+, are candidate materials for the formation of the Quantum Spin Ice. However, structural disorder is...
