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A quantum chemical study on the formation of phosphorus mononitride
(ELSEVIER SCIENCE BV, 2009)
The chemical mechanism of the (1)PN formation was successfully studied by using the CCSD(T)/6-311++G(3df,3pd) level of theory. The (1)NH(3) + (3)PH and (4)P + NH(3) reaction paths are not energetically favorable to form ...
Silver(I) and copper(I) complexes with a Schiff base derived from 2-aminofluorene with promising antibacterial activity
(Elsevier S.A., 2019)
By reaction of 2-aminofluorene with 2-pyridinecarboxaldehyde a new Schiff base (L) is obtained. The reaction of this ligand with Ag(I) and Cu(I) salts in different stoichiometry leads to the complexes [Ag(CF3SO3)(L)PPh3] ...
Remote regio- and stereocontrol by the sulfinyl group: Diels-Alder reaction of sulfinyl dienols and 8,8-dimethylnaphthalene-1,4,5(8H)-trione
(2013)
Diels-Alder cycloaddition of 8,8-dimethylnaphthalene-1,4,5(8H)-trione with diastereomeric hydroxysulfinyldienes proceeded with high yields and good π-facial and regioselectivities. The hydroxysulfoxide moiety controls the ...
NMR study of branched polyethylenes obtained with combined Fe and Zr catalysts
(2002)
The products obtained with the system {[(ArN=C(Me))2C5H3N]FeCl2}/MAO (Ar = 2-C6H4(Et)) (1) and the ones obtained by the use of 1 in conjunction with Me2SiInd2ZrCl2/MAO (2) or EtInd2ZrCl2/MAO (3) were completely characterized ...
Redox and coordinative properties of N,N′-dithiobisamines: Oxidative desulphurization by copper(II) ions and Cr(CO)5[S2(NR2)2] complexes
(1991)
N,N′-dithiobisamines, R2N-S-S-NR2, NR2N(CH3)2, N(CH2CH3)2, {A figure is presented}, {A figure is presented} or N(CH2-C6H5)2, are oxidized to SO2 by copper(II) salts with formation of copper(I) complexes, while from the ...
Complexes with heterocyclic nitrogen ligands - III. Cationic rhodium(I) derivatives and applications in catalysis
(Elsevier Ltd, 1996)
The preparation and spectroscopic properties of mononuclear cationic complexes of rhodium(I) coordinated to the diolefin 2,5-norbornadiene (NBD) and to the heterocyclic nitrogen ligands 6,7-dihydrodipyrido-[2,3-b:3′,2′-j ...
Binding of electrolytes to poly(ethylene oxide) in methanol
(1986)
The binding of potassium and sodium salts (thiocyanate and iodide as anions) to polyethylene
oxide) in methanol solutions has been studied. The study was performed by the use of fluorescence techniques
and ultrafiltration ...
Quantitative evaluation of the surface stability and morphological changes of Cu2O particles
(2019-10-01)
Cu2O low-index surfaces periodic models have been simulated based on density functional theory. The calculated surfaces energies allowed estimating the morphology by means of the Wulff theorem as well as the investigation ...
Sulfated polymers in biological mineralization: a plausible source for bio-inspired engineering
(2004)
Biomineralization leads to the formation of inorganic crystals with unique, ordered, refined shapes that are regulated by specific macromolecules. This process has been a source of inspiration for exploring novel approaches ...