In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. 5089-22-5, Name is 1,4-Bis(benzo[d]oxazol-2-yl)naphthalene, SMILES is C1(C2=NC3=CC=CC=C3O2)=C4C=CC=CC4=C(C5=NC6=CC=CC=C6O5)C=C1, belongs to naphthyridine compound. In a document, author is Pineiro-Lopez, Lucia, introduce the new discover, SDS of cas: 5089-22-5.
Two new 3D spin-crossover (SCO) Hofmann-type coordination polymers {Fe(2,6-naphthy)[Ag(CN)(2)][Ag-2(CN)(3)]} (1; 2,6-naphthy = 2,6-naphthyridine) and {Fe(2,6-naphthy)-[Au(CN)(2)](2)}center dot 0.5PhNO(2) (2) were synthesized and characterized. Both derivatives are made up of infinite stacks of {Fe[Ag(CN) (2)](2)-[Ag-2(CN)(3)]}(n) and {Fe[Au(CN)(2)](2)}(n) layered grids connected by pillars of 2,6-naphthy ligands coordinated to the axial positions of the FeII centers of alternate layers. The in situ generated [Ag-2(CN)(3)](-) linkers define wide rectangular windows that favor the interpenetration of three identical 3D networks, strong argentophilic interactions between them, and the generation of a densely packed structure without accessible void spaces. In contrast, the smaller rhombus-shaped window in 2 affords a structure made up of doubly interpenetrated 3D networks with strong aurophilic interactions between them and accessible voids partially occupied by nitrobenzene molecules. Compound 1 displays a relatively abrupt two-step SCO in the temperature interval 150-215 K, whereas 2 features an incomplete one-step SCO behavior (T-1/2 = 166 K) that extends over 150 K.
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Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem