Search results for "röntgenkristallografia"

showing 7 items of 57 documents

Aminobis- ja diaminotetrafenolien syntetisointi ja käyttö kahden- ja kolmenarvoisten metallikationien kompleksoinnissa

2008

monihampaiset aminofenolitsynteesiNMR-spektroskopiarakenteetröntgenkristallografia
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Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes

2019

Gold superatom nanoclusters stabilized entirely by N-heterocyclic carbenes (NHCs) are reported. The reduction of well-defined NHC–Au–Cl complexes produces clusters com-prised of an icosahedral Au13 core surrounded by a symmetrical arrangement of 9 NHCs and 3 chlorides. X-ray crystallography shows that the clusters are characterized by multiple CH–π and π–π interactions, which rigidify the ligand and likely con-tribute to the exceptionally high photoluminescent quantum yields observed, up to 16.0 %, which is significantly greater than the most luminescent ligand-protected Au13 superatom cluster. Density functional theory analysis suggests that clus-ters are 8-electron superatoms with a wide …

nanoclustersnanohiukkasetcrystallographyröntgenkristallografiagold superatom nanoclusters
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Reaction of LiArMe6 (ArMe6ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) with indium(I)chloride yields three m-terphenyl stabilized mixed-valent organoindium su…

2016

Indium(I)chloride reacts with LiArMe6 (ArMe6 = C6H3-2,6-(C6H2-2,4,6-Me3)2) in THF to give three new mixed-valent organoindium subhalides. While the 1:1 reaction of InCl with LiArMe6 yields the known metal-rich cluster In8(ArMe6)4 (1), the use of freshly prepared LiArMe6 led to incorporation of iodide, derived from the synthesis of LiArMe6, into the structures, to afford In4(ArMe6)4I2 (2) along with minor amounts of In3(ArMe6)3I2 (3). When the same reaction was performed in 4:3 stoichiometry, the mixed-halide compound In3(ArMe6)3ClI (4) was obtained. Further increasing the chloride:aryl ligand ratio resulted in the formation of the known mixed-halide species In4(ArMe6)4Cl2I2 that can also be…

organoindium subhalidesmolecular clustersDFT laskutorganoindiumhaliditmolekyyliklusteritDFT calculationsröntgenkristallografia
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A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies

2022

The reaction of PtCl2 with s-triazine-type ligand (HTriaz) (1:1) in acetone under heating afforded a new [Pt(Triaz)Cl] complex. Single-crystal X-ray diffraction analysis showed that the ligand (HTriaz) is an NNO tridentate chelate via two N-atoms from the s-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. The coordination environment of the Pt(II) is completed by one Cl−1 ion trans to the Pt-N(hydrazone). Hirshfeld surface analysis showed that the most dominant interactions are the H···H, H···C and O···H intermolecular contacts. These interactions contributed by 60.9, 11.2 and 8.3% from the…

platinatiheysfunktionaaliteoriaOrganic ChemistryPt(II) complex; <i>s</i>-triazine; Hirshfeld; NBO; TD-DFT; X-rayPharmaceutical SciencekompleksiyhdisteetHirshfeldAnalytical ChemistryX-rayPt(II) complexs-triazineChemistry (miscellaneous)NBODrug DiscoveryMolecular MedicinePhysical and Theoretical ChemistryTD-DFTröntgenkristallografiaMolecules
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Polymorphic chiral squaraine crystallites in textured thin films

2020

Chirality 32(5), 619 - 631 (2020). doi:10.1002/chir.23213

polarized spectro-microscopyCircular dichroism610mikroskopiaCircular dichroism010402 general chemistry01 natural sciencesCatalysisAnalytical ChemistrypuolijohteetDrug DiscoveryTexture (crystalline)ddc:610Thin filmAnisotropyDicroisme circularDifracció de raigs Xorgaaniset yhdisteetSpectroscopyPharmacologyimaging Mueller matrix polarimetry010405 organic chemistryChemistryOrganic ChemistryDavydov splittingX-rays diffraction0104 chemical sciencesX-ray diffractionCrystallographyX-ray crystallographyOrthorhombic crystal systempolarimetriaCrystalliteohutkalvotröntgenkristallografiaMonoclinic crystal system
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Halogen-Bonded Co-Crystals of Aromatic N-oxides : Polydentate Acceptors for Halogen and Hydrogen Bonds

2017

The C-ethyl-2-methylresorcinarene (1) forms 1:1 in-cavity complexes with aromatic N,N′-dioxides, only if each of the aromatic rings has an N−O group. The structurally different C-shaped 2,2′-bipyridine N,N′-dioxide (2,2′-BiPyNO) and the linear rod-shaped 4,4′-bipyridine N,N′-dioxide (4,4′-BiPyNO) both form 1:1 in-cavity complexes with the host resorcinarene in C4v crown and C2v conformations, respectively. In the solid state, the host–guest interactions between the 1,3-bis(4-pyridyl)propane N,N′-dioxide (BiPyPNO) and the host 1 stabilize the unfavorable anti-gauche conformation. Contrary to the N,N′-dioxide guests, the mono-N-oxide guest, 4-phenylpyridine N-oxide (4PhPyNO), does not form an…

polydentateDenticityGeneral Chemical EngineeringcooperativityInorganic chemistryCooperativity010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compounddiiodoperfluoroalkanesPyridinelcsh:QD901-999General Materials ScienceC−H···O interactionsta116hydrogen bondN−O groupHalogen bondvetysidokset010405 organic chemistryChemistryHydrogen bondH···O interactionsperfluoroalkylCondensed Matter Physicshalogen bond; hydrogen bond; aromatic N-oxides; perfluoroalkyl; diiodoperfluoroalkanes; polydentate; N−O group; cooperativity; C−H···O interactionsAcceptor0104 chemical sciencesaromatic N-oxidesCrystallographyHalogenorgaaninen kemiahalogen bondlcsh:CrystallographySingle crystalC−röntgenkristallografia
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Synthesis, characterization, and reactivity of heavier group 13 and 14 metallylenes and metalloid clusters : small molecule activation and more

2015

small molecule activationkemiallinen synteesipienmolekyylitsynthesispuolimetallitmolekyylitmain group chemistrylaskennallinen kemiacomputational chemistrykemialliset sidoksetmetalloid clustersmetallylenesnanohiukkasetröntgenkristallografiaX-ray crystallography
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