Search results for "kompleksi"

Laulumelodioiden rytmisen kompleksisuuden kehitys ja yhteys listamenestykseen Ison-Britannian top 10 -singlelistoilla 1960-1975

2005

Haptotropism in a Nickel Complex with a Neutral, π‐Bridging cyclo‐P4 Ligand Analogous to Cyclobutadiene

2022

The reaction of ( 1 )Ni(η 2 -cod), 2 , incorporating a chelating bis( N -heterocyclic carbene) 1 , with P 4 in pentane yielded the dinuclear complex [( 2 )Ni] 2 (μ 2 ,η 2 :η 2 -P 4 ), 3 , formally featuring a cyclobutadiene-like, neutral, rectangular, π-bridging P 4 -ring. In toluene, the butterfly-shaped complex [( 1 )Ni] 2 (μ 2 ,η 2 :η 2 -P 2 ), 4 , with a formally neutral P 2 -unit was obtained from 2 and either P 4 or 3 . Computational studies showed that a low energy barrier haptotropic rearrangement involving two isomers of the μ 2 ,η 2 :η 2 -P 4 coordination mode and a low energy μ 2 ,η 4 :η 4 -P 4 coordination mode, as previously predicted for related nickel cyclobutadiene complexes…

Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes

2018

Ab initio calculations of the structures, vibrational spectra and supermolecular and symmetry-adapted perturbation theory (SAPT) interaction energies of the HXeOH and HXeSH complexes with H2O and H2S molecules are presented. Two minima already reported in the literature were reproduced and ten new ones were found together with some transition states. All complexes show blue shift in Xe&ndash

Luovan yrittäjyyden taide : tarkastelussa luovuuden mahdollisuudet akateemisen yrittäjyyskasvatuksen näkökulmasta

2012

Tässä tutkielmassa tarkastellaan teoreettisista lähtökohdista käsin kuinka yksilön luovuutta voitaisiin paremmin tukea akateemisessa yrittäjyyskasvatuksessa. Tutkimusaiheen valintaan vaikutti se, että luovuus nähdään yrittäjyyskasvatuksen haasteena. Tutkimuksessa haetaan kattavaa ymmärrystä luovuuden ilmiöön lähestymällä sitä yksilön, kasvatuksen ja luovan työn prosessien näkökulmista. Luovuuden ja yrittäjämäisen ajattelun ja toiminnan dialogia tarkastellaan menestyvien yrittäjien ominaisuuksiin verraten. Tämän jälkeen esille tulleita näkökulmia sovelletaan yrittäjyyskasvatuksen tarpeisiin. Lopuksi pohditaan luovuuden mahdollisuuksia osana yrittäjyyskasvatuksen tulevaisuutta. Tutkimus on la…

Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems

2018

The field of molecular magnetism studies the magnetic properties of molecular systems as opposed to conventional metal-based magnets. The high chemical modifiability of the constituting molecules makes such materials highly versatile, and the small size of the building blocks leads to the rise of various quantum mechanical phenomena, such as tunneling and entanglement. These phenomena can then be further utilized in the construction of nanoscale quantum devices. This dissertation describes computational and theoretical studies in the field of molecular magnetism using state-of-the-art quantum chemical methods based on ab initio multireference approaches and broken symmetry density functional t…

Oxidative ortho-C-N Fusion of Aniline by OsO4. Isolation, Characterization of Oxo-Amido Osmium(VI) Complexes, and their Catalytic Activities for Oxid…

2008

In an unusual reaction of osmium(VIII) oxide with p-substituted aromatic amines (X-C6H4-NH2, where X = Me, H, Cl) in heptane afforded the brown osmium(VI)-oxo complexes [OsO(L)2] (1a-c, L = N-aryl-1,2-arylenediamide) in moderate yields. The ligand L is formed in situ via oxidative ortho-C-N fusion of arylamines. The reaction occurs in an inert atmosphere, and a part of Os(VIII) is used up for the oxidation of aromatic amine. Single crystal X-ray structure of a representative complex 1a is solved. The structural analysis has authenticated the ortho-C-N fusion of ArNH2 resulting in formation of the diamide ligand, L. The complex as a whole is penta-coordinated, and the coordination sphere has…

Controlling Oxidative Addition and Reductive Elimination at Tin(I) via Hemi-Lability.

2021

We report on the synthesis of a distannyne supported by a pincer ligand bearing pendant amine donors that is capable of reversibly activating E–H bonds at one or both of the tin centres through dissociation of the hemi-labile N–Sn donor/acceptor interactions. This chemistry can be exploited to sequentially (and reversibly) assemble mixed-valence chains of tin atoms of the type ArSn{Sn(Ar)H} n SnAr ( n = 1, 2). The experimentally observed (decreasing) propensity towards chain growth with increasing chain length can be rationalized both thermodynamically and kinetically by the electron-withdrawing properties of the –Sn(Ar)H– backbone units generated via oxidative addition. peerReviewed

Oxygen Transfer from Trimethylamine N-oxide to CuI Complexes Supported by Pentanitrogen Ligands

2020

[N,N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] ( L 1 ) and [N,N-bis(2-quinolylmethyl)-N-bis(2-pyridyl)methylamine] ( L 2 ) were employed to prepare Cu II  and Cu I  complexes for spectroscopic and structural characterization. [ L 1 Cu II (H 2 O)](NO 3 ) 2 and [ L 2 Cu II (NO 3 )]NO 3 have Jahn-Teller distorted octahedral geometries, and give rise to isotropic EPR spectra in frozen solution. [ L 1 Cu I (CH 3 CN)]OTf and [ L 2 Cu I (CH 3 CN)]OTf have distorted trigonal bipyramidal and tetrahedral solid-state structures, respectively. The N-donors display labile behavior in solution, based on variable-temperature 1 H NMR studies. Addition of trimethylamine N-oxide (Me …

A Cation-Captured Palladium(0) Anion: Synthesis, Structure, and Bonding of [PdBr(PPh3)2]− Ligated by an N-Heterocyclic Phosphenium Cation

2009

Unsaturated N-heterocyclic phosphenium cations (uNHP) stabilize the [Pd0(PR3)2X]− anion proposed over the past decade to be the crucial but elusive intermediate in palladium-catalyzed cross-coupling reactions (X = halide). Insertion of metal into the P−Br bond of the precursor mesityl-substituted bromophosphine gives the structurally characterized Pd(0)-phosphenium complex (uNHPMes)Pd(PPh3)2Br, which features a long Pd−Br bond (2.7240(9) Å) and the shortest known Pd−P bond (2.1166(17) Å). The reaction is proposed to proceed by an associative pathway involving a Pd-bromophosphine complex that undergoes P-to-Pd bromide transfer. peerReviewed

Hexagonal Microparticles from Hierarchical Self-Organization of Chiral Trigonal Pd3L6 Macrotetracycles

2021

Construction of structurally complex architectures using inherently chiral, asymmetric, or multi-heterotopic ligands is a major challenge in metallosupramolecular chemistry. Moreover, the hierarchical self-organization of such complexes is unique. Here, we introduce a water-soluble, facially amphiphilic, amphoteric, chiral, asymmetric, and hetero-tritopic ligand derived from natural bile acid, ursodeoxycholic acid. We show that via the supramolecular transmetalation reaction, using nitrates of Cu(II) or Fe(III), and subsequently Pd(II), a superchiral Pd3L6 complex can be obtained. Even though several possible constitutional isomers of Pd3L6 could be formed, because of the ligand asymmetry a…