Andreeva, Anastasia B.; Le, Khoa N.; Kadota, Kentaro; Horike, Satoshi; Hendon, Christopher H.; Brozek, Carl K. published their research in Chemistry of Materials in 2021. The article was titled 《Cooperativity and Metal-Linker Dynamics in Spin Crossover Framework Fe(1,2,3-triazolate)2》.COA of Formula: C2H3N3 The article contains the following contents:
Cooperative interactions are responsible for the useful properties of spin crossover (SCO) materials-large hysteresis windows, critical temperatures near room temperature, and abrupt transitions-with hybrid framework materials exhibiting the greatest cooperativity and hysteresis of all SCO systems. However, little is known about the chem. origin of cooperativity in frameworks. Here, the authors present a combined exptl.-computational approach for identifying the origin of cooperativity in the metal-organic framework (MOF) Fe(1,2,3-triazolate)2 (Fe(TA)2), which exhibits the largest known hysteresis window of all SCO materials and unusually high transition temperatures, as a roadmap for understanding the manipulation of SCO behavior in general. Variable-temperature vibrational spectroscopy provides evidence that soft modes associated with dynamic metal-linker bonding trigger the cooperative SCO transition. Thermodn. anal. also confirms a cooperativity magnitude much larger than those of other SCO systems, while electron d. calculations of Fe(TA)2 support previous theor. predictions that large cooperativity arises in materials where SCO produces considerable differences in metal-ligand bond polarities between different spin states. Taken together, this combined exptl.-computational study provides a microscopic basis for understanding cooperative magnetism and highlights the important role of dynamic bonding in the functional behavior of framework materials. The results came from multiple reactions, including the reaction of 1H-1,2,3-Triazole(cas: 288-36-8COA of Formula: C2H3N3)
1H-1,2,3-Triazole(cas: 288-36-8) belongs to triazoles. Triazoles are an important group of nitrogen-containing five-membered heterocyclic scaffolds. Triazoles are core structures of several drugs and pharmaceutical agents. Triazole derivatives possess antimicrobial, antiparasitic, antidiabetic, analgesic, and anti-inflammatory properties COA of Formula: C2H3N3
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics