Search results for " complex"

Predictive First-principles Modeling of a Photosynthetic Antenna Protein : The Fenna-Matthews-Olson Complex

2020

High efficiency of light harvesting in photosynthetic pigment-protein complexes is governed by evolutionary-perfected protein-assisted tuning of individual pigment properties and inter-pigment interactions. Due to the large number of spectrally overlapping pigments in a typical photosynthetic complex, experimental methods often fail to unambiguously identify individual chromophore properties. Here we report a first principles-based modeling protocol capable of predicting properties of pigments in protein environment to a high precision. The technique was applied to successfully uncover electronic properties of the Fenna-Matthews-Olson (FMO) pigment-protein complex. Each of the three subunit…

Vanadium complex with tetradentate [O,N,N,O] ligand supported on magnesium type carrier for ethylene homopolymerization and copolymerization

2010

Immobilization of 1,2‐cyclohexylenebis(5‐chlorosalicylideneiminato)vanadium dichloride on the magnesium support obtained in the reaction of MgCl2·3.4EtOH with Et2AlCl gives a highly active precursor for ethylene homopolymerization and its copolymerization with 1‐octene. This catalyst exhibits the highest activity in conjunction with MAO, but it is also highly active with AlMe3 as a cocatalyst. On the other hand, when combined with chlorinated alkylaluminum compounds, Et2AlCl and EtAlCl2, it gives traces of polyethylene. Moreover, its catalytic activity is strongly affected by the reaction temperature: it increased with rising polymerization temperature from 20 °C to 60 °C. The kinetic curve…

Ethylene polymerization with FI complexes having novel phenoxy‐imine ligands: Effect of metal type and complex immobilization

2011

A series of bis(phenoxy‐imine) vanadium and zirconium complexes with different types of R3 substituents at the nitrogen atom, where R3 = phenyl, naphthyl, or anthryl, was synthesized and investigated in ethylene polymerization. Moreover, the catalytic performance was verified for three supported catalysts, which had been obtained by immobilization of bis[N‐(salicylidene)‐1‐naphthylaminato]M(IV) dichloride complexes (M = V, Zr, or Ti) on the magnesium carrier MgCl2(THF)2/Et2AlCl. Catalytic performance of both supported and homogeneous catalysts was verified in conjunction with methylaluminoxane (MAO) or with alkylaluminium compounds (EtnAlCl3−n, n = 1–3). The activity of FI vanadium and zirc…

Synteza bimetalicznego silseskwioksanowego kompleksu tytanu(IV) i jego polimerycznego odpowiednika oraz ich właściwości katalityczne w polimeryzacji …

2016

Zsyntetyzowano, a następnie scharakteryzowano dwa tytanosilseskwioksany: nowy, nieznany dotąd z literatury, tetrachloroditytanosilseskwioksan (2) i jego polimeryczny odpowiednik (3). Zbadano właściwości katalityczne otrzymanych związków w polimeryzacji etylenu i 1-oktenu. Obydwa prekatalizatory, po aktywacji za pomocą Et2AlCl lub EtAlCl2, katalizują polimeryzację etylenu do polietylenu (PE) o małej masie molowej, która zmniejsza się zarówno ze wzrostem temperatury reakcji, jak i stosunku molowego Al:Ti. Kompleks (2) w połączeniu z metyloaluminoksanem lub związkami boru jest także aktywny w polimeryzacji 1-oktenu.

Ethylenebis(5‐chlorosalicylideneiminato)vanadium dichloride immobilized on MgCl2‐based supports as a highly effective precursor for ethylene polymeri…

2009

Ethylenebis(5‐chlorosalicylideneiminato)vanadium dichloride supported on MgCl2(THF)2 or on the same carrier modified by EtnAlCl3−n, where n = 1–3, was used in ethylene polymerization in the presence of MAO or a common alkylaluminium compounds as a cocatalyst. The support type alter vanadium loading and also change the characteristic of the catalytic active sites. Et2AlCl is the best activator for a catalyst which has been immobilized on a nonmodified support, whereas the systems which contain a carrier which has been modified by an organoaluminium compound reveal the highest activity in conjunction with MAO. That difference, together with different temperature effects on polymerization effi…

Dichlorovanadium (IV) complexes with salen‐type ligands for ethylene polymerization

2008

Vanadium complexes with tetradentate salen‐type ligands were first time explored in ethylene polymerizations. The effects of the vanadium complex structure, the alkyl aluminum cocatalysts type (EtAlCl2, Et2AlCl, Et3Al, and MAO), and the polymerization conditions (Al/V molar ratio, temperature) on polyethylene yield were explored. It was found that EtAlCl2 in conjunction with investigated vanadium complexes produced the most efficient catalytic systems. It was shown, moreover, that the structural changes of the tetradentate salen ligand (type of bridge which bond donor nitrogen atoms and type of substituent on aryl rings) affected activity of the catalytic system. The complexes containing li…

Complex formation of copper(II) and cadmium(II) with pectin and polygalacturonic acid in aqueous solution. An ISE-H + and ISE-Me 2+ electrochemical s…

2012

The acid-base properties of pectin and its ability to complex with copper(II) or cadmium(II) were quantitatively determined in order to define the ability of this natural polyelectrolyte to sequester metal ions. Potentiometric measurements carried out at different ionic strengths (0.1 - 0.7 mol L-1, in Na+ ionic medium) allowed us to define the acid-base properties of pectin together with the dependence of the protonation constants on ionic strength and to calculate the protonation constant at infinite dilution. The formation of complex species between pectin and copper(II) or cadmium(II) was investigated potentiometrically (using H+, Cu2+ and Cd2+ Ion Selective Electrodes, ISEs) in NaNO3 a…

Complex species formation of Cu and Cd metal ions with polyacrylate, polymethacrylate and alginate ligands. Potentiometric investigation by ISE-H+ an…

2008

Quasiconformal Jordan Domains

2020

We extend the classical Carath\'eodory extension theorem to quasiconformal Jordan domains $( Y, d_{Y} )$. We say that a metric space $( Y, d_{Y} )$ is a quasiconformal Jordan domain if the completion $\overline{Y}$ of $( Y, d_{Y} )$ has finite Hausdorff $2$-measure, the boundary $\partial Y = \overline{Y} \setminus Y$ is homeomorphic to $\mathbb{S}^{1}$, and there exists a homeomorphism $\phi \colon \mathbb{D} \rightarrow ( Y, d_{Y} )$ that is quasiconformal in the geometric sense. We show that $\phi$ has a continuous, monotone, and surjective extension $\Phi \colon \overline{ \mathbb{D} } \rightarrow \overline{ Y }$. This result is best possible in this generality. In addition, we find a n…

Diversity of Isomerization Patterns and Protolytic Forms in Aminocarbene PdII and PtII Complexes Formed upon Addition of N,N′-Diphenylguanidine to Me…

2017

Reaction of the palladium(II) and platinum(II) isocyanide complexes cis-[MCl2(CNR)2] [M = Pd, R = C6H3(2,6-Me2) (Xyl), 2-Cl-6-MeC6H3, cyclohexyl (Cy), t-Bu, C(Me)2CH2(Me)3 (1,1,3,3-tetramethylbuth-1-yl abbreviated as tmbu); M = Pt, R = Xyl, 2-Cl-6-MeC6H3, Cy, t-Bu, and tmbu] with N,N′-diphenylguanidine (DPG) leads to DPG-derived metal-bound deprotonated acyclic diaminocarbene (ADC) species. This reaction occurs via a two-step process, involving the initial coupling of the guanidine with one of the isocyanides and leading to deprotonated monocarbene monochelated species, while the next addition grants the deprotonated bis-carbene bis-chelated metal compounds. DPG behaves as nucleophile, depr…