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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... -
Proton transfer in croconic acid
Croconic acid has recently emerged as the first example of an above room-temperature organic single component ferroelectric. Our goal is to determine its crystal structure at... -
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... -
54Fe0.9Si0.1 RT wtl=10 j:14,14
This dataset has no description
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Diffuse scattering studies of squaric acid in an applied electric field
Organic ferroelectric compounds such as KH2PO4 and squaric acid, have attracted much interest in the past due to their potential in applications [1]. This interest has been... -
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... -
Low temperature phase transitions in ferroelectric tris-sarcosine calcium chl...
Small-molecule based ferroelectrics offer several advantages over the currently used materials based on heavy metal oxides (i.e. cost, environmental-friendliness). There are... -
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... -
Investigating the origin of thermochromism in N-salicylideneanilines
Anils, N-salicylideneanilines, display thermochromism, which is thought to involve an intramolecular proton shift, but to-date the structural changes postulated to occur during... -
Single Crystal Scattering Study of 163-Dy2Ti2O7 Using SXD
Spin ice materials are a class of compounds with exotic magnetic properties, resulting from the frustration. Magnetic monopoles have been detected at low temperature; manifest... -
Anharmonic thermal motion of hydrogen atom(s)
This is a feasibility study of a possible influence of anharmonic thermal motion of hydrogen atom(s) on quantitative electron density distributions in single crystals of model... -
Pressure Effects on Proton Migration 3,5-pyridinedicarboxylic Acid
Hydrogen bonds are ubiquitous in materials across the chemical spectrum, from inorganic to biological. They influence the structure, the functionality, and therefore the... -
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... -
All-trans Retinal T=100K wtl=10 j:14,14
This dataset has no description
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CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
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Nature of Disorder in Relaxor-like Ferroelectric AB(HCO2)3 Frameworks
Relaxor ferroelectics are of significant interest for use as piezoelectric actuators in sensing applications and for high precision mechanical stages. Relaxors are traditionally... -
Probing the ground state magnetic structure of single crystalline Ho3Fe5O12, ...
Lu and Ho counterparts of RE3Fe5O12 will be an appropriate platform to reveal the complexmagnetic ground state of rare earth iron garnets with common formula RE3Fe5O12. Lu3+... -
The peculiar hydrogen bonding pattern in crystalline raffinose : a multi-temp...
Raffinose is a trisaccharide with a galactose molecule attached to the glucose side of a sucrose moiety. The high similarity with sucrose implies that the presence of raffinose... -
Magnetic structure of Sr2CoO2Cu2Se2
We will use single crystal neutron diffraction to determine the magnetic structure of the Co2+ moments in the layered oxide chalcogenide Sr2CoO2Cu2Se2. This will enable us to... -
Phonons from diffraction and normal mode analysis in HMT
With the overall aim of extending the information derivable in a neutron single crystal diffraction experiment beyond the static structure, we are proposing to perform a...
