Synergy between polymorphism, pressure, spin-crossover and temperature in [Fe(PM-BiA)2(NCS)2]: a neutron powder diffraction investigation
Literature Information
Vincent Legrand, Stanislav Pechev, Jean-François Létard, Philippe Guionneau
The pressure dependencies of the lattice parameters of the spin transition compound [Fe(PM-BiA)2(NCS)2] have been derived from neutron powder diffraction measurements at low temperature. The study of the compound [Fe(PM-BiA)2(NCS)2]-pI has first confirmed the atypical spin crossover behaviour under pressure of this compound that shows a pressure induced structural transition inducing the transformation into a different polymorph, [Fe(PM-BiA)2(NCS)2]-pII. This phenomenon avoids a first-order spin transition in favour of continuous transition around 0.75 GPa at ambient temperature. Low temperature measurements under pressure up to 1.07 GPa allowed us not only to describe the spin-crossover for both polymorphs but also to reach phase-diagram regions where both polymorphs co-exist in different spin-states. Finally, the reversibility of the structural variations has been demonstrated.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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