Search results for "Complexes."
showing 10 items of 857 documents
Series of Near-IR-Absorbing Transition Metal Complexes with Redox Active Ligands
2020
New soluble and intensely near-IR-absorbing transition metal (Ti, Zr, V, Ni) complexes were synthesized using a redox non-innocent N,N&rsquo
Theoretical investigations of the IR spectroscopy of Ni(C(2)S(2)H(2))(2). A case study of the P_VMWCI(2) algorithm including anharmonic effects.
2010
The near infrared (NIR) spectra of bis(ethylene-1,2-dithiolato)nickel, Ni(C(2)S(2)H(2))(2) are fully interpreted here by applying a method developed for efficient automatic computation of both the infrared wave numbers and the intensities. The employed procedure uses parallel variational multiple window configuration interaction wave functions, the so-named P_VMWCI(2) algorithm, which incorporates both the mechanical and the electric anharmonic effects. It is shown that inclusion of anharmonicities is crucial for correctly assigning the fundamental, combination, and overtone vibrational frequencies in the infrared spectrum of the target system, for which conflicting assignments are found in…
Rhenium(I) and platinum(II) complexes with diimine ligands bearing acidic phenol substituents: hydrogen-bonding, acid-base chemistry and optical prop…
2010
Tricarbonylchloro-rhenium(i) (1-4) and catecholato-platinum(ii) complexes (6, 7) of diimine ligands bearing phenol and O-protected phenol substituents have been prepared and fully characterised including single crystal structure analyses of 1, 4 and 7. The redox behaviour of the catecholato platinum(ii) complexes 6 and 7 has been probed by cyclic voltammetry, preparative oxidation and EPR spectroscopy (6˙(+), 7˙(+)). Reversible deprotonation of the hydroxy substituted complexes 1, 3 and 6 to 1(-), 3(-) and 6(-) resulted in significant changes in their electronic spectra. The luminescence properties of the diamagnetic complexes have been investigated using emission spectroscopy. DFT and TD-D…
Synthesis of platinum complexes with 2-(5-perfluoroalkyl-1,2,4-oxadiazol-3yl)-pyridine and 2-(3-perfluoroalkyl-1-methyl-1,2,4-triazole-5yl)-pyridine …
2016
Five new mononuclear Pt(II) complexes with 5-perfluoroalkyl-1,2,4-oxadiazolyl-pyridine and 3-perfluoroalkyl-1,2,4-triazolyl-pyridine ligands are reported. The ligands 2-(5-perfluoroheptyl-1,2,4-oxadiazole-3yl)-pyridine (pfhop), 2-(5-perfluoropropyl)-1,2,4-oxadiazole-3yl)-pyridine (pfpop), 2-(3-perfluoroheptyl-1-methyl-1,2,4-triazole-5yl)-pyridine (pfhtp), 2-(3-perfluoropropyl-1-methyl-1,2,4-triazole-5yl)-pyridine (pfptp) and their complexes [PtCl2(pfhop)(2)]center dot 1.5 DMSO (2a), [PtCl2(pfpop)(2)]center dot 1.5 DMSO (3a), [PtCl2(pfhtp)(2)]center dot 1.5 DMSO (4a), PtCl2(pfhtp) (4b), [PtCl2(PfPtP)(2)]center dot 1.5 DMSO (5a) have been synthesized and structurally characterized. The comple…
Spin-crossover in the [Fe(abpt)2(NCX)2] (X=S, Se) system: Structural, Magnetic, calorimetric and photomagnetic studies
1999
[EN] The compounds [Fe(abpt)(2)(NCS)(2)] (1) and [Fe(abpt)(2)(NCSe)(2)] (2) with abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole have been synthesized. The X-ray structures have been determined at 293 K. 1 and 2 are isostructural and crystallize in the monoclinic space group P2(1)/n with Z = 2, a = 8.538(8), b = 10.246(8), c = 16.45(2) Angstrom, beta = 93.98(9)degrees for 1 and a = 8.623(2), b = 10.243(3), c = 16.585(3) Angstrom, beta = 93.19(2)degrees for 2. In both complexes, the coordination core has a similar pseudo-octahedral geometry with the NCS- (1) and NCSe- (2) groups in the trans-position. Variable-temperature magnetic susceptibility data give evidence for a low-spin (LS)high…
Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex
2016
The highly stable nitrosyl iron(II) mononuclear complex [Fe(bztpen)(NO)](PF6)(2) (bztpen=N-benzyl-N,N',N'-tris(2-pyridylmethyl)ethylenediamine) displays an S=1/2 S=3/2 spin crossover (SCO) behavior (T-1/2=370 K, Delta H= 12.48 kJmol(-1), Delta S=33 JK(-1) mol(-1)) stemming from strong magnetic coupling between the NO radical (S=1/2) and thermally interconverted (S=0 S=2) ferrous spin states. The crystal structure of this robust complex has been investigated in the temperature range 120-420 K affording a detailed picture of how the electronic distribution of the t(2g)-e(g) orbitals modulates the structure of the {FeNO}(7) bond, providing valuable magneto-structural and spectroscopic correlat…
Spin crossover in six-coordinate [Fe(L)2(NCX)2] compounds with L = DPQ = 2,3-bis-(2′-pyridyl)-quinoxaline, ABPT = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4…
1998
[EN] The iron(II) compounds of formulae [Fe(DPQ)2(NCS)2]·CO(CH)3)2(DPQ = 2,3-bis-(2¿-pyridyl)-quinoxaline) (1) and [Fe(ABPT)2-(NCX)2] (ABPT = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) X = S (2) and Se (3) were synthesized and the crystal structure of 1 determined by X-ray diffraction methods. It crystallizes in the monoclinic system . The structure is made up of discrete [Fe(DPQ)2(NCS)2] units. Each metal atom is in a distorted FeN6 octahedral environment, the Fe¿N bonds ranging from 2.013(8) Å to 2.425(8) Å. Variable-temperature magnetic susceptibility data in the temperature range 290¿4.2 K revealed that 1 is high spin, in contrast to 2 and 3 which show a moderately cooperative high s…
Large Conductance Switching in a Single-Molecule Device through Room Temperature Spin-Dependent Transport
2016
Controlling the spin of electrons in nanoscale electronic devices is one of the most promising topics aiming at developing devices with rapid and high density information storage capabilities. The interface magnetism or spinterface resulting from the interaction between a magnetic molecule and a metal surface, or vice versa, has become a key ingredient in creating nanoscale molecular devices with novel functionalities. Here, we present a single-molecule wire that displays large (>10000%) conductance switching by controlling the spin-dependent transport under ambient conditions (room temperature in a liquid cell). The molecular wire is built by trapping individual spin crossover Fe-II comple…
CO-releasing binuclear rhodium complexes as inhibitors of nitric oxide generation in stimulated macrophages.
2013
Nontoxic CO-releasing dirhodium complexes act as inhibitors of NO in stimulated macrophage cells, suggesting that novel antiinflammatory treatments could involve the use of these types of binuclear complexes.
Crystal structure, magnetic and spectroscopic properties of the bis(dimethyl sulfoxide) adduct of tetra-μ-formato-dicopper(II), a new tetracarboxylat…
1994
The crystal and molecular structure of a new tetracarboxylato-bridged copper(II) dimer, the bis(dimethyl sulfoxide)tetrakis(μ-formato)dicopper(II) has been determined by X-ray diffraction methods. It crystatlizes in the tetragonal space group I41/a, with Z=8 in a cell of dimensions a=17.688(2), c=10.408(1) Å. The structure is built up of centrosymmetric neutral dimers [Cu2(HCOO)4(dmso)2], where four bidentate carboxylate anions form syn-syn bridges between the metal atoms which are in a 4 + 1 environment. Magnetic susceptibility data show that the copper atoms are strongly antiferromagnetically coupled with J=-434 cm-1. The obtained triplet-singlet energy gap is compared with those reported…