Search results for "Structure Elucidation"

showing 3 items of 23 documents

Comment on “Crystallographic Snapshot of an Arrested Intermediate in the Biomimetic Activation of CO2”

2015

Out of focus: A recent Communication published in this journal describes the synthesis of [nBu4 N]HCO3 . The authors performed a single-crystal X-ray study that revealed a putative species described as an incipient hydroxide ion engaging in a long, and presumably weak, interaction with CO2 . Our recent exploration of the coordination chemistry of CO2 with small ions leads us to believe that such an exceptional bonding situation is unlikely. Instead, we argue that the crystal structure is that of [nBu4 N]O2 CCH3 and therefore not representative of the bulk powder from the synthesis.

hiilidioksidichemistry.chemical_classificationMolecular StructureGeneral ChemistryCrystal structureCarbon Dioxidelaskennallinen kemiaCrystallography X-Raycomputational chemistryCatalysisstructure elucidation: X-ray crystallographyCoordination complexchemistry.chemical_compoundCrystallographychemistryBiomimeticsX-ray crystallographyHydroxideMoleculekiderakenteen ratkaisuta116röntgenkristallografiaAngewandte Chemie International Edition
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A Discrete P⋅⋅⋅II⋅⋅⋅P Assembly: The Large Influence of Weak Interactions on the31P NMR Spectra of Phosphane–Diiodine Complexes

2006

Thioethers, except derivatives of [7-R-7,8-C2B9H11] , are more weakly coordinating ligands than phosphanes. This difference is evidenced by the I I distances in the spokeshaped charge-transfer (CT) complexes R2S·I2 and R3P·I2 (Figure 1). The I I distance is sensitive to the strength of the interaction between the s* LUMO orbital on I2 and the HOMO orbital of the donor atom: the stronger the donor, the longer the I I distance. In these spoke CT complexes, the I I distance varies from 3.2 0.2 7 in R3P·I2 adducts [5] to 2.80 0.05 7 in R2S·I2 adducts, [6] indicating the weaker donor character of the thioether group. Whereas extended I2 arrays, spoke adducts of I2, polyiodides, and other structu…

StereochemistryInteractionsPhosphanes010402 general chemistry01 natural sciencesCatalysisAdductPolyiodidechemistry.chemical_compoundThioetherMoleculeNon-covalent interactionsCarboranesHOMO/LUMOchemistry.chemical_classificationiodine010405 organic chemistryChemistryLigandStructure elucidationGeneral MedicineGeneral ChemistryNoncovalent0104 chemical sciencesChemistryCarboraneAngewandte Chemie International Edition
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Diorganotin(IV) Complexes of Methyl 2-{[(E)-8-Oxo-5, 8-dihydroquinolin-5-ylidene]hydrazino}benzoate

2012

Three cis-bis{5-[(E)-2-(2-carbomethoxyphenyl)-1- diazenyl]quinolinolato}-diorganotin(IV), R2Sn(L)2, complexes [R = Me (1), Ph (2) and Bz (3)] were synthesized and characterized by 1H-, 13C-, 119Sn- NMR, IR, and 119Sn Mössbauer spectroscopic techniques in combination with elemental analysis. The structure of diphenyltin(IV) complex Ph2Sn(L)2 (2) was determined by single-crystal X-ray crystallography as its tri-benzene solvate. Each complex was found to adopt a distorted cis-R2 octahedral arrangement around the tin atom with the quinolinolato ligands being N,O-chelating; the oxygen atoms are trans to each other. The complexes retain their solid- state structure in non-coordinating solvents as…

StereochemistryStructure elucidationchemistry.chemical_elementNuclear magnetic resonance spectroscopyMedicinal chemistryInorganic ChemistryNMR spectroscopyOxygen atomchemistryOctahedronTinSettore CHIM/03 - Chimica Generale E InorganicaMössbauer spectroscopyMethyl 2-{[(E)-8-oxo-58-dihydroquinolin-5-ylidene]hydrazino}benzoateSpectroscopyTin119Sn Mössbauer spectroscopyZeitschrift für anorganische und allgemeine Chemie
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