Publications by authors named "J M Harrowfield"

We report on the elastic and photodynamic properties of (E)-1,2-bis(pyridinium-4-yl)ethene dinitrate [HEbpe](NO), whose needle-like crystals can be reversibly deformed by applying external mechanical stress. The macro-scale mechanical properties of [HEbpe](NO) crystals were quantified by a three-point bending test, which gave a stress-strain curve with an elastic modulus of 1.18 GPa, and its values are lower than those of other flexible elastic organic crystals.

View Article and Find Full Text PDF

When reacted together with uranyl ions under solvo-hydrothermal conditions, a bis(pyridiniumcarboxylate) zwitterion (L) and tricarballylic acid (Htca) give the complex [NH][UO(L)][UO(tca)]·2HO (1). The two ligands are segregated into different units, an anionic nanotubule for tca and a six-fold interpenetrated cationic framework with topology for L. The entangled framework defines large channels which contain the square-profile nanotubules.

View Article and Find Full Text PDF

Single-crystal X-ray diffraction studies for a variety of metal ion complexes of functionalised sarcophagines (sarcophagine=sar=3,6,10,13,16,19-hexa-azabicyclo[6.6.6]icosane) have further confirmed not only that the form of the metal ion/sar unit is unique for each metal, albeit with a sensitivity of the conformation to the associated counter anions, but also that for any given metal and ligand substituent, the dimensions (bond lengths and angles) of the complex and the substituent at the secondary nitrogen centres do not differ significantly from those of the isolated components.

View Article and Find Full Text PDF

Zwitterions may take many forms and have found many applications, some of which are based on their capacity to act as ligands for a wide variety of metal ions. This brief review describes recent developments in this coordination chemistry involving oligozwitterion species, as reflected in solid state X-ray structural studies of the coordination polymers and frameworks formed and with a particular focus on uranyl ion systems.

View Article and Find Full Text PDF

The conformational preference of a cavity-based biaryl phosphine, namely 5-(2-diphenylphosphinyl-phenyl)-25,26,27,28-tetrapropyloxycalix[4]arene (L) has been investigated by density functional theory calculations. The analysis showed that the barrier to rotation about the C-C axle of the biaryl unit is only 10.7 kcal mol, this rendering possible access to conformers of two types, those in which the P lone pair sits at the cavity entrance and points to the calixarene interior, others with a more open structure where the P atom is located outside the cavity.

View Article and Find Full Text PDF