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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... -
NdB4 cooling to 10K wtl=0 j:8,8
This dataset has no description
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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... -
Crystal structure of mallardite, manganese sulfate heptahydrate
This dataset has no description
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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... -
Copy of: Neutron photocrystallography study of [Ni(dppe)(n1-NO2)Cl]
Photocrystallography is an important technique in modern structural chemistry. The most recent and impressive developments of this technique in "small molecule" crystallography... -
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... -
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... -
Chemical effect on elastic properties in hexa-alogenated-benzenes
Benzene is the parent compound of organic solids based on C-H...pi interactions that have been used in organic field effect transistors. Any change in the C-H...pi interactions... -
Crystal structure of Kondo insulator single crystal CeRu2Al9.9Si0.1
This dataset has no description
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Combined neutron and X-ray single-crystal diffraction studies of selected 2-p...
Hydrozones and their metal complexes exhibit subtle redistribution of electron density as a function of substitution, type of the metal center and intermolecular interactions.... -
CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
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Reversible B-H Bond Activation at Cationic Rh(III) Centres: Structural Charac...
Catalytic processes leading to the functionalization of organic molecules by boron-containing reagents are highly topical ¿ ranging from transition metal catalysed hydro- and... -
Magnetic Structure and Martensite Twin-Laws of ferromagnetic Co2-Ni-Ga and Fe...
Pseudoelastic, ferromagnetic Co2NiGa type high-temperature shape memory alloys (HT-SMAs) are characterized by a wide range of tunable transformation temperatures and lower... -
Probing the ground state magnetic structure of single crystalline Lu3Fe5O12 a...
Lu and Yb counterparts of RE3Fe5O12 will be appropriate platform to reveal the complex magnetic ground state of rare earth iron garnets with common formula RE3Fe5O12. Lu3+ does... -
Superstructures in high-Tc La(2-x)Sr(x)CuO(4+y)
Previous powder diffraction studies of the superoxygenated La(2-x)Sr(x)CuO(4+y) (LSCO+O) system have not provided a model describing the superstructures of the intercalated... -
Insight into 4-hydroxyacetophenone polymorphs from single crystal neutron dif...
Beside the lattice energy, vibrational entropy has an important contribution to polymorph stability. We have developed a new method (NoMoRe - Normal Mode Refinement), which...
