Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 274693-26-4, Name is 2-(((3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol, SMILES is CC1(C)O[C@]([C@H](N2N=NC3=C(N[C@H]4[C@H](C5=CC=C(F)C(F)=C5)C4)N=C(SCCC)N=C32)C[C@@H]6OCCO)([H])[C@]6([H])O1, in an article , author is Deorukhkar, Neel, once mentioned of 274693-26-4, SDS of cas: 274693-26-4.
Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)(3)](2+) complexes: what for and who cares about it?
The [FeN6] chromophores found in [Fe(didentate)(3)](2+) complexes, where didentate is a non-symmetrical 2-(6-membered-heterocyclic ring)-benzimidazole ligand (Lk), exist as mixtures of two geometrical mer (C-1-symmetry) and fac (C-3-symmetry) isomers. Specific alkyl-substituted six-membered heterocyclic rings connected to the benzimidazole unit (pyridines in ligands L1-L3, pyrazines in L4-L5 and pyrimidines in L6-L7) control the ligand field strength and the electron delocalization so that [Fe-II(Lk)(3)](2+) display tunable thermally-induced spin transitions in solution. Thermodynamic, spectroscopic (UV-Vis, NMR) and magnetic studies in solution demonstrate that [Fe(L6)(3)](2+) (L6 = 1-methyl-2-(pyrimidin-2-yl)-1H-benzo[d] imidazole) exhibits a close to room temperature spin transition (T-1/2 = 273(3) K) combined with a high stability formation constant (logo beta(Fe,L6)(1,3)) = 21.8(9) in acetonitrile), which makes this complex suitable for the potential modulation of lanthanide-based luminescence in polymetallic helicates. A novel method is proposed for assigning specific thermodynamic spin crossover parameters to fac-[Fe(L6)(3)](2+) and mer-[Fe (L6)(3)](2+) isomers in solution. The observed difference relies mainly on the entropic content Delta S-SCO(mer) – Delta S-SCO(fac) = 11(1) J mol(-1) K-1, which favors the spin transition for the meridional isomer. Intermolecular interactions occurring in the crystalline state largely overcome minor thermodynamic trends operating in diluted solutions and a single configurational isomer is usually observed in the solid state. Among the thirteen solved crystal structures 1-13 containing the [M(Lk)(3)](2+) cations (M = Fe, Ni, Zn, Lk = L6-L7), pure meridional isomers are observed six times, pure facial isomers also six times and a mixture (44% mer and 56% fac) is detected only once. Solid-state magnetic data recorded for the Fe-II complexes show the operation of slightly cooperative spin transitions in 7 (fac-[Fe(L6)(3)](2+)) and 12 (mer-[Fe(L7)(3)](2+)). For the meridional isomer in 6, a two-step spin state transition curve, associated with two phase transitions, is detected.
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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia