Structural features that modulate the sharpness of the spin crossover transition in [FeIII(5-X-qsal)2]+ based salts
文献信息
Bruno J. C. Vieira, Laura C. J. Pereira, Vasco da Gama, João C. Waerenborgh
This study aimed to unveil the structural modifications that can modulate the SCO transition sharpness, occurring up to room temperature, of FeIII compounds with general formula [Fe(5-X-qsal)2]+. These compounds are organized in layers of cationic chains. The structure of a series of compounds with different transition progressions were analyzed and compared to extract the structural differences responsible for the change in magnetic behavior. Two structural differences were found to be responsible for the modulation of the magnetic transition sharpness, in direct correspondence with the degree of interactions between the cations in each chain and between chains. The reinforcement of the interchain connectivity was found to contribute towards the sharpness of the transition. On the contrary, the reinforcement of the interlayer interactions resulted in the broadening of the transition. To achieve sharp transitions, it is necessary to obtain structures able to maximize interchain cation–cation interactions at the same time as they minimize the interlayer interactions.
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来源期刊
CrystEngComm
CrystEngComm is the forum for the design and understanding of crystalline materials. We welcome studies on the investigation of molecular behaviour within crystals, control of nucleation and crystal growth, engineering of crystal structures, and construction of crystalline materials with tuneable properties and functions. We publish hypothesis-driven research into… how crystal design affects thermodynamics, phase transitional behaviours, polymorphism, morphology control, solid state reactivity (crystal-crystal solution-crystal, and gas-crystal reactions), optoelectronics, ferroelectric materials, non-linear optics, molecular and bulk magnetism, conductivity and quantum computing, catalysis, absorption and desorption, and mechanical properties. Using Techniques and methods including… Single crystal and powder X-ray, electron, and neutron diffraction, solid-state spectroscopy, spectrometry, and microscopy, modelling and data mining, and empirical, semi-empirical and ab-initio theoretical evaluations. On crystalline and solid-state materials. We particularly welcome work on MOFs, coordination polymers, nanocrystals, host-guest and multi-component molecular materials. We also accept work on peptides and liquid crystals. All papers should involve the use or development of a design or optimisation strategy. Routine structural reports or crystal morphology descriptions, even when combined with an analysis of properties or potential applications, are generally considered to be outside the scope of the journal and are unlikely to be accepted.
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