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The results of quantum-chemical calculations of the molecular structures of d-metal macrocyclic chelate complexes with compartmental and macrocyclic (N,O)- and (N,S) donor atomic ligands arising as a result of “self-assembly” process have been systematized and generalized. It has been noticed that, generally, for such coordination compounds, molecu...
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Iron(V)-oxo complexes bearing negatively charged tetraamido macrocyclic ligands (TAMLs) have provided excellent opportunities to investigate the chemical properties and the mechanisms of oxidation reactions of mononuclear nonheme iron(V)-oxo intermediates. Herein, we report the differences in chemical properties and reactivities of two iron(V)-oxo...
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... In a review article, Mikhailov [69] addressed d-metal macrocyclic chelate complexes with compartmental and macrocyclic (N,O) and (N,S) donor atom ligands arising as a result of Bself-assembly.^Such an example is the beryllium complex with salen, which has been shown to be a dimeric bisbidentate structure [70] as opposed to the standard monomeric bidentate structure of the corresponding, valence-isoelectronic, calcium complex [71]. ...
The contents of issues 3 and 4 of Structural Chemistry from the calendar year 2018 are summarized in the present review. A brief thermochemical commentary and recommendations for future research have been added to the summary of each paper.
... As the role of macrocycles in various chemistry disciplines has already been emphasized in many recent reviews over the past few years, [1][2][3][4][5][6][7] synthetic ones such as cyclodextrins, crown ethers, calix[n]arenes, cryptands and cucurbiturils have attracted much more growing attention from supramolecular chemistry community due to their pre-organized conformational features. [8] Since then, the efforts have been being focused on the functionalization of easily approachable macrocyclic scaffolds with established sensitive groups in search of new sensors for increasingly challenging targets. ...
25,27-(Dipropylmorpholinoacetamido)-26,28-dihydroxycalix[4]arene was used as a chemical sensor material in this work. The calix[4]arene LB thin films were prepared onto a gold-coated glass and quartz glass substrates to fabricate a thin film chemical sensor element. Atomic Force Microscopy (AFM) and Surface Plasmon Resonance (SPR) techniques were used to characterize all the calix[4]arene LB thin films. The film thickness and the refractive index of thin films can be evaluated with the fitted experimental SPR datas. The refractive index and the thickness per monolayer of LB films were determined as a 1.58 ± 0.04 and 1.27 ± 0.09 nm, respectively. The calix[4]arene LB thin film chemical sensor element was exposed to dichloromethane, chloroform, benzene and toluene vapors. The SPR kinetic measurements displayed that, the photodetector response change, ΔIrf for saturated dichloromethane vapor is much larger than the other vapors with the ΔIrf value of 48 au and the diffusion coefficient value of 5.1 × 10⁻¹⁶ cm²s⁻¹. Swelling process was analyzed by well known Fick's Equations. In this approach diffusion coefficients ( ) for swelling were conformed to the square root of time and were correlated with the volatile organic compounds. Our results showed that calix[4]arene thin film has a highly selective with a large response to dichloromethane vapor.
The existence of macrotricyclic complexes containing M( ii ) ion (M = Ti–Zn) and double deprotonated form of subporphyrazine that is unknown for these 3d-elements, was shown by quantum-chemical calculation using three various DFT methods.
Molecular structure calculations of heteroligand (6666)macrotetracyclic metal (MIV) chelates (M = Fe, Co, Ni, Cu) with trans-di[benzo]porphyrazine as the (N,N,N,N)-donor ligand and two F− anions were carried out at the OPBE/TZVP level of density functional theory. The key bond lengths, bond angles, and non-bond angles in the complexes were determined and corresponding standard enthalpies, entropies, and Gibbs energies of formation were calculated. All complexes have slightly distorted tetrahedral structures. The complex-forming agent MIV lies in the plane formed by the donor nitrogen atoms. The metal—nitrogen bonds are usually pair-wise equal. The six-membered metal chelate rings in the complexes are identical to one another from the standpoint of both the sum and set of the bond angles.
Preparation of high-efficiency oxygen reduction reaction (ORR) catalysts with abundant and inexpensive biomass materials have been a hot research topic. We use nitrogen-rich lentinus edodes and potassium ferrate (K2FeO4) to simultaneously activate the carbon material and prepare prussian blue (PB), and a porous carbon composite (PB/C) containing PB is synthesized. Finally, using ammonium chloride (NH4Cl) as a nitrogen source to further synthesize a Fe–N–C catalyst (PB/CN1T800) containing a trace amount of Fe for ORR. Results show that the prepared PB/CN1T800 catalyst forms a coral-like structure, which mainly contains mesopores and possesses a large specific surface area of approximately 1582 m² g⁻¹. Moreover, the onset potential of PB/CN1T800 is 0.95 V, and the half-wave potential is 0.83 V, which are consistent with those of commercial Pt/C. Thus the PB/CN1T800 material is an ORR catalyst with excellent performance. This work provides a basis for simple and efficient conversion of rich biomass into PB/porous carbon composites to prepare highly efficient catalysts.
