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Crystal packing energy calculations are applied to the [Fe(PM-L)(NCS)] family of spin crossover (SCO) complexes (PM-L = 4-substituted derivatives of the -(2-pyridylmethylene)-4-aminobiphenyl ligand) with the aim of relating quantitatively the cooperativity of observed SCO transitions to intermolecular interactions in the crystal structures. This approach reveals a linear variation of the transition abruptness with the sum of the magnitudes of the interaction energy changes within the first molecular coordination sphere in the crystal structure. Abrupt transitions are associated with the presence of significant stabilising and destabilising changes in intermolecular interaction energies. While the numerical trend established for the PM-L family does not directly extend to other classes of SCO complex in which the intermolecular interactions may be very different, a plot of transition abruptness against the range of interaction energy changes normalised by the largest change shows a clustering of complexes with similar transition abruptness. The changes in intermolecular interactions are conveniently visualised using energy difference frameworks, which illustrate the cooperativity pathways of an SCO transition.
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http://dx.doi.org/10.1039/d0sc05819j | DOI Listing |
Org Lett
December 2024
State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130012, China.
To explore alkali-cation selectivity at the chemical reaction level, in this work, we for the first time focused on the different behaviors of potassium and sodium ions in intra- and intermolecular arylation. We prepared a series of aromatic foldamers based on pyridine/oxadiazole alternating sequences as the catalysts for the arylation. Our studies revealed that foldamers can selectively recognize K over Na and the interactions between foldamers and K drive the arylation with a significant yield.
View Article and Find Full Text PDFBeilstein J Org Chem
December 2024
Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), CNRS-Université de Strasbourg (UMR 7504), F-67034 Strasbourg, France.
The high potential of non-covalent arene-fluoroarene intermolecular interactions in the design of liquid crystals lies in their ability to strongly promote self-assembly, improve the order and stability of the supramolecular mesophases, and enable tuneability of the optical and electronic properties, which can potentially be exploited for advanced applications in display technologies, photonic devices, sensors, and organic electronics. We recently successfully reported the straightforward synthesis of several mesogens containing four lateral aliphatic chains and derived from the classical triphenylene core self-assembling in columnar mesophases based on this paradigm. These mesogenic compounds were simply obtained in good yields by the nucleophilic substitution (SFAr) of various types of commercially available fluoroarenes with the electrophilic organolithium derivatives 2,2'-dilithio-4,4',5,5'-tetraalkoxy-1,1'-biphenyl (2Li- ).
View Article and Find Full Text PDFChemistry
December 2024
"Indian Institute of Science Education and Research Kolkata", Chemical Sciences, Research Complex, 741246, Mohanpur, INDIA.
The recent surge in emerging viral infections warrants the design of broad-spectrum antivirals. We aim to develop a lead molecule that targets a common biochemical feature of many enveloped viruses, membrane fusion. To achieve the broad-spectrum ability, instead of targeting the fusion machinery, we plan to modulate the physicochemical properties of the host and viral membranes to block fusion.
View Article and Find Full Text PDFChemistryOpen
December 2024
Laboratory of Advanced Materials and Process Engineering, Faculty of Science, University Ibn Tofail, University Street, Kenitra, B.P 242, Morocco.
The corrosion of metals in acidic environments remains a significant challenge, driving the search for sustainable and eco-friendly inhibitors derived from natural sources. This study evaluates the corrosion inhibition potential of three extracts from Cannabis sativa L., namely ethanol extract (EET), hexane extract (EHX), and dichloromethane extract (EDM), for mild steel in a 1 M HCl acidic medium.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Department of Applied Chemistry, National Yang Ming Chiao Tung University, Hsinchu, Taiwan 300093.
In recent years, the integration of multifunctional properties into electrospun fabrics has garnered significant attention for applications in wearable devices and smart textiles. A major challenge lies in achieving a balance among intermolecular interactions, structural stability, and responsiveness to external stimuli. In this study, we address this challenge by developing intrinsically healable and photoresponsive electrospun fabrics composed of poly(vinylidene fluoride--hexafluoropropylene) (PVDF-HFP), thermoplastic polyurethane (TPU), and an azobenzene-based ionic liquid ([AzoCMIM][TFSI]).
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