Search results for "kristallografia"

showing 4 items of 64 documents

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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