Satellite ligand effects on magnetic exchange in dimers. A structural, magnetic and theoretical investigation of Cu2L2X4 (L = methylisothiazolinone and X = Cl−, Br−)

Halide-bridged polymers have gained significant interest due to their diverse properties and potential applications. Stacked Cu2L2X4 dimers, where L is an organic ligand and X can be Cl− or Br−, are of interest because a chloride analogue where L = 2-pyridone, had previously been reported to exhibit bulk ferromagnetism, which augured great potentiality for this class of compounds. The synthesis, structural characterization, magnetic susceptibility measurements, and computational studies of two isostructural CuClMI (MI = methylisothiazolinone) and CuBrMI polymers of Cu(ii), along with a related CuClPYR (PYR = 2-pyridone) is reported. CuClMI and CuBrMI were found to exhibit AFM bulk properties, due to FM/AFM alternating chains along the halide-bridged polymer axis, while FM bulk properties were confirmed for CuClPYR exhibiting a FM spin ladder. In combination with a benzamide analogue, CuClBA, three O-donor amides, CuClMI, CuClBA and CuClPYR were analyzed and revealed that the kinetic exchange is affected by the identity, but more importantly, the orientation of the satellite ligands. The torsional angle of the ligand with the dimer plane is shown to significantly affect the magnetic exchange in the dimer, and between dimers, explaining the reported FM bulk properties of CuClPYR. This finding is exceedingly important, as it suggests that a spin device can be constructed to flip between singlet/triplet states by manipulating the orientation of the satellite/terminal ligand. © 2023 The Royal Society of Chemistry. This article includes supplementary data, also available for download

Quantum walks and Dirac cellular automata on a programmable trapped-ion quantum computer

The quantum walk formalism is a widely used and highly successful framework for modeling quantum systems, such as simulations of the Dirac equation, different dynamics in both the low and high energy regime, and for developing a wide range of quantum algorithms. Here we present the circuit-based implementation of a discrete-time quantum walk in position space on a five-qubit trapped-ion quantum processor. We encode the space of walker positions in particular multi-qubit states and program the system to operate with different quantum walk parameters, experimentally realizing a Dirac cellular automaton with tunable mass parameter. The quantum walk circuits and position state mapping scale favorably to a larger model and physical systems, allowing the implementation of any algorithm based on discrete-time quantum walks algorithm and the dynamics associated with the discretized version of the Dirac equation.Comment: 8 pages, 6 figure