In the Cr7Co model-system the anisotropy of CoII is effectively transferred to the whole cluster through strong and anisotropic exchange interactions.

Text Quantum computation could outperform classical approaches in cryptography and database searching. Among various quantum bits (qubits) candidates, molecular nanomagnets are found to be prominent since their collective spins are tunable as required. However, the nuclear spins from the ligand can act as a source of Overhauser field to decoher the electron spins. Here we demonstrate that by encapsulating the electron spins in fullerenes, it is possible to elongate the quantum coherence time largely even for the anisotropic high spin systems with many nuclear spins. The rotation of the inner group of the endohedral fullerene (Sc3C2@C80) can lead to a crossover of the quantum coherence behavior. The anisotropic high spin system (Gd2@C79N) affords diverse Rabi cycles, allowing arbitrary superposition state manipulation between each adjacent level. Our research suggests that this molecular magnetic material of anisotropic high spin fulfills the requirement for implementing Grover’s algorithm.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The physical characterisation and understanding of molecular magnetic materials is one of the most important steps towards the integration of such systems in hybrid spintronic devices. Amongst the many characterisation techniques employed in such a task, Inelastic Neutron Scattering (INS) stands as one of the most powerful and sensitive tools to investigate their spin dynamics. Herein, the magnetic properties and spin dynamics of two dinuclear complexes, namely [(M(hfacac)_2)_2(bpym)] (where M = Ni^2+, Co^2+, abbreviated in the following as Ni_2, Co_2) are reported. These are model systems that could constitute fundamental units of future spintronic devices. By exploiting the highly sensitive IN5 Cold INS spectrometer, we are able to gain a deep insight into the spin dynamics of Ni_2 and to fully obtain the microscopic spin Hamiltonian parameters; while for Co_2, a multitude of INS transitions are observed demonstrating the complexity of the magnetic properties of octahedral cobalt-based systems.

The discovery of magnetic bistability in Mn-12 more than 20 years ago marked the birth of molecular magnetism, an extremely fertile interdisciplinary field and a powerful route to create tailored magnetic nanostructures. However, the difficulty to determine interactions in complex polycentric molecules often prevents their understanding. Mn-12 is an outstanding example of this difficulty: although it is the forefather and most studied of all molecular nanomagnets, an unambiguous determination of even the leading magnetic exchange interactions is still lacking. Here we exploit four-dimensional inelastic neutron scattering to portray how individual spins fluctuate around the magnetic ground state, thus fixing the exchange couplings of Mn-12 for the first time. Our results demonstrate the power of four-dimensional inelastic neutron scattering as an unrivaled tool to characterize magnetic clusters.

Entanglement is a crucial resource for quantum information processing and its detection and quantification is of paramount importance in many areas of current research. Weakly coupled molecular nanomagnets provide an ideal test bed for investigating entanglement between complex spin systems. However, entanglement in these systems has only been experimentally demonstrated rather indirectly by macroscopic techniques or by fitting trial model Hamiltonians to experimental data. Here we show that four-dimensional inelastic neutron scattering enables us to portray entanglement in weakly coupled molecular qubits and to quantify it. We exploit a prototype (Cr7Ni)(2) supramolecular dimer as a benchmark to demonstrate the potential of this approach, which allows one to extract the concurrence in eigenstates of a dimer of molecular qubits without diagonalizing its full Hamiltonian.