Search results for "Complexes"
showing 10 items of 875 documents
Titanium (IV) chloride complexes with salen ligands supported on magnesium carrier: Synthesis and use in ethylene polymerization
2009
The magnesium support with the formula MgCl 2 (THF) 0.32 (Et 2 AlCl) 0.36 was used for immobilization of salen complexes of titanium [Ti(salen)Cl 2 , Ti(salen(O-Me) 2 )Cl 2 ]. The effects of the catalyst composition (i.e. type of titanium complex and type of activator), polymerization temperature, polymerization time, and the effect of comonomer (1-octene) on the activity of the obtained supported catalysts, on the polymer characteristics (molecular weight, molecular weight distribution, melting point), and on the polymer morphology were studied. The findings were compared to those obtained for corresponding unsupported systems. Catalysts immobilization results in considerable changes in ca…
Determination of basic strenght of aliphatic amines through ion pair formation in some ionic liquid solutions
2010
To have an evaluation of the basic strength of aliphatic amines in ionic liquid solution, the stability constants relevant to the formation of amine/p-nitrophenol ion pairs were determined in different ionic liquids at 298 K. In particular, aliphatic (pyrrolidinium) and aromatic (imidazolium) ionic liquids were used. Imidazolium ions, bmim(+) and bm(2)im(+), having different hydrogen bond donor abilities were taken into account. Anions were chosen ([BF(4)(-)], [PF(6)(-)], and [NTf(2)(-)]; where NTf(2) = bis(trifluoromethansulfonyl)imide) showing different shape, size, and coordination ability. Several primary, secondary (cyclic or not), and tertiary amines were used to study the effect of a…
Nuevos materiales moleculares de hierro(II) multipropiedad basados en el fenómeno de transición de espín
2017
En esta Tesis Doctoral se presenta la síntesis y caracterización de una serie de materiales multifuncionales de FeII que tienen como denominador común el fenómeno de transición de espín (TS). El objetivo general es investigar sinergias entre la TS y otra propiedad fisicoquímica mediante el estudio de su estructura molecular y sus propiedades magnéticas y calorimétricas, entre otras. En el Capítulo Uno se exponen los conceptos más relevantes del fenómeno TS en el cual los centros TS experimentan una conversión de espín HS↔LS (HS: estado de espín alto, LS: estado de espín bajo) en respuesta a un estímulo externo tal como temperatura, presión, luz o la presencia de analitos. En particular, una…
Postęp badań w zakresie polimeryzacji olefin
2011
Na podstawie obszernego przeglądu literatury omówiono rozwój katalizatorów metaloorganicznych stosowanych w procesie polimeryzacji olefin z uwzględnieniem najnowszych badań w tym zakresie. Przedstawiono możliwości otrzymywania z ich udziałem produktów o różnej strukturze i właściwościach. Na tle postępu w technologii otrzymywania poliolefin scharakteryzowano wyniki najnowszych prac zespołu opolskiego, od wielu lat biorącego aktywny udział w badaniach nad opracowaniem i oceną właściwości katalitycznych kolejnych, nowych grup metaloorganicznych katalizatorów polimeryzacji i kopolimeryzacji olefin. Szczególną uwagę poświęcono katalizatorom zaliczanym do grupy układów postmetalocenowych z ligan…
Pt(II) and Pd(II)-assisted coupling of nitriles and 1,3-diiminoisoindoline : Synthesis and luminescence properties of (1,3,5,7,9-pentaazanona-1,3,6,8…
2017
Treatment of trans-[PtCl2(NCR)2] 1 (R = Me (1a), Et (1b), o-ClC6H4 (1c), p-ClC6H4 (1d), p-(HCdouble bond; length as m-dashO)C6H4 (1e), p-O2NC6H4CH2 (1f)) with 1,3-diiminoisoindoline HNdouble bond; length as m-dashCC6H4C(NH)double bond; length as m-dashNH 2 gives access to the corresponding (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes [PtCl{NHdouble bond; length as m-dashC(R)Ndouble bond; length as m-dashC(C6H4)NCdouble bond; length as m-dashNC(R)double bond; length as m-dashNH}] 3a–f, in good yields (65–70%). The reaction of trans-[PdCl2(NCMe)2] 4a with 2 furnishes (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pd(II) complex [PdCl{NHdouble bond; length as m-dashC(Me)Ndouble bond…
Experimental and computational studies of transition metal complexes with polydentate amino- and amidophenolate ligands : synthesis, structure, react…
2013
Chelating polydentate ligands play a key role in several areas of modern coordination chemistry. They can be exploited, for example, in catalysis, bioinorganic chemistry, heavy metal abstraction and molecular magnetism. Furthermore, compounds of this type can be found in natural chemicals, commercial products and industrial applications. In this dissertation, several 3d, 4d and 5d transition metal complexes with polydentate amino- and amidophenolate ligands were prepared and their structure, reactivity and magnetic properties were studied with experimental and computational techniques. In the first part of the dissertation, the solid-state structure, reactivity and magnetic properties of 12…
Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes
2018
Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copperIJII) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…
Transition metal chlorides complexes with tetrahydrofuran [MtCl(4)(THF)(2)] used as precursors of ethylene polymerization
2002
Otrzymano trzy kompleksy chlorków metali przejściowych z THF - [TiCl4(THF)2] (I), [ZrCl4(THF)2] (II), oraz [HfCWTHF),] (III) i zastosowano je jako prekursory katalizatorów tytanowo-magnezowych w niskociśnieniowej polimeryzacji (0,5 MPa, 323 K) etylenu przy użyciu AlEt3 (najkorzystniej), AlEt2Cl lub Al(z'-Bu)3 jako kokatalizatora (rys. 1, tabela 1). Zmierzono gęstość, gęstość nasypową, stopień krystaliczno-ści, ciężary cząsteczkowe i ich rozkład oraz temperaturę topnienia uzyskanego PE-HD (tabela 1). Aktywność katalizatorów wzrastała w szeregu (III) < (II) < (I), tzn. ze wzrostem elektroujemności pierwiastka metalu i ze spadkiem wartości ładunku cząstkowego na atomie metalu grupy przejściowe…
Crystal Structures and Density Functional Theory Calculations of o-and p-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and aromatic i…
2013
The interplay of strong and weak hydrogen bonds, dipole–dipole interactions, and aromatic interactions of o- and p-nitroaniline derivatives was studied by combining crystal structure analysis and density functional theory (DFT) calculations. Crystal structures of four 2-nitroaniline derivatives, 2-((2-nitrophenyl)amino)ethyl methanesulfonate (1A), 2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (2A), N,N′-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline) (3A), and N-(2-chloroethyl)-2-nitroaniline (4A), and crystal structures of three 4-nitroaniline derivatives, 2-((4-nitrophenyl)amino)ethyl methanesulfonate (1B), 2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate (…
Direct detection of 17O NMR in [Gd(DOTA)]- by NMR Spectroscopy
2015
The 17O NMR spectrum of the non-coordinated carboxyl oxygen in the GdIII-DOTA (DOTA = tetraazacyclododecanetetraacetic acid) complex has been observed experimentally. Its line width is essentially unaffected by paramagnetic relaxation due to gadolinium, and is only affected by the quadrupole pathway. The results are supported by the relevant parameters (hyperfine and quadrupole coupling constants) calculated by relativistic DFT methods. This finding opens up new avenues for investigating the structure and reactivity of paramagnetic GdIII complexes used as contrast agents in magnetic resonance imaging.