MMQIP SIGNED

Project "MMQIP" data sheet

The following table provides information about the project.

 Partnership

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Map

 Project objective

The vision is to build molecule-based magnetic coordination cages and their related 3D frameworks possessing permanent cavities capable of hosting magnetic, redox- and photo-active guests for the construction of controllable multifunctional materials with potential application in information storage, quantum computation and molecular spintronics. The specific objectives are: (1) To build coordination cages and molecule-based framework materials possessing permanent cavities with both diamagnetic and paramagnetic metal centres. (2) To employ theoretical modelling to predict the appropriate host-guest combinations. (3) To employ solution-based techniques, particularly NMR spectroscopy, to examine the host-guest chemistry of the diamagnetic cages and frameworks, in tandem with theory to inform what paramagnetic host-guest capsules and frameworks should be targeted. (4) To spectroscopically investigate the solution host-guest behaviour of paramagnetic cages. (5) To construct empty magnetic coordination capsules and molecule-based materials, to elucidate their solid-state structures via single crystal X-ray crystallography, and to investigate their magnetic behavior with a battery of techniques. (6) To examine the magnetic behaviour of cages and framework materials containing redox-active/radical linker ligands in the host framework. (7) To examine the magnetic behaviour of cages and frameworks encapsulating redox/photo-active/magnetic guests. (8) To examine the magnetic properties of cages and frameworks encapsulating guests that can accept numerous electrons and to monitor the effects that a variable number of electric charges placed on the guest has on the static and dynamic magnetic properties of the host. (9) To explore the controlled switching (on/off) of the spin-spin interactions between host and guest via the charge state of the guest. (10) To computationally model all magnetic and spectroscopic data, and to elucidate magneto-structural correlations.