0000000001302986

AUTHOR

Aurélien Moncomble

showing 4 related works from this author

Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and bis-chelated uranium(VI) complexes

2015

The thermodynamics and kinetics of the cis/trans isomerism of N-methylacetohydroxamic acid (NMAH) and its conjugated base (NMA(-)) have been reinvestigated in aqueous media by (1)H NMR spectroscopy. Hindered rotation around the central C-N bond due to electronic delocalization becomes slow enough on the NMR time scale to observe both rotamers in equilibrium in D2O at room temperature. By properly assigning the methyl group resonances, evidence for the prevalence of the E over the Z form is unambiguously provided [K300=[E]/[Z]=2.86(2) and 9.63(5) for NMAH and NMA(-), respectively], closing thereby a long-lasting dispute about the most stable conformer. To that end, calculations of the chemic…

Models MolecularMolecular ConformationX-ray crystal structuresCrystallography X-RayHydroxamic AcidsSpectrum Analysis RamanBiochemistryInorganic Chemistrychemistry.chemical_compoundDelocalized electronReaction rate constantEXSY spectroscopyCoordination ComplexesSpectroscopyConformational isomerismChelating AgentsUranium(VI) complexesChemical shiftWater[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyHydroxamic acidchemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryRaman spectroscopyProton NMRQuantum TheoryUraniumDensity functional theoryMethyl group
researchProduct

CCDC 1042533: Experimental Crystal Structure Determination

2019

Related Article: Stéphane Brandès, Alejandra Sornosa-Ten, Yoann Rousselin, Mickael Lagrelette, Christine Stern, Aurélien Moncomble, Jean-Paul Cornard, Michel Meyer|2015|J.Inorg.Biochem.|151|164|doi:10.1016/j.jinorgbio.2015.06.002

Space GroupCrystallographydiaqua-[N-(oxy)-N-methylacetamidato]-(nitrato)-bis(oxido)-uraniumCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1042608: Experimental Crystal Structure Determination

2015

Related Article: Stéphane Brandès, Alejandra Sornosa-Ten, Yoann Rousselin, Mickael Lagrelette, Christine Stern, Aurélien Moncomble, Jean-Paul Cornard, Michel Meyer|2015|J.Inorg.Biochem.|151|164|doi:10.1016/j.jinorgbio.2015.06.002

Space GroupCrystallographyCrystal SystemAqua-bis(N-oxy-N-methylacetamidato)-dioxo-uraniumCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1042532: Experimental Crystal Structure Determination

2015

Related Article: Stéphane Brandès, Alejandra Sornosa-Ten, Yoann Rousselin, Mickael Lagrelette, Christine Stern, Aurélien Moncomble, Jean-Paul Cornard, Michel Meyer|2015|J.Inorg.Biochem.|151|164|doi:10.1016/j.jinorgbio.2015.06.002

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersDiaqua-(N-oxy-N-methylacetamidato)-nitrato-dioxo-uraniumExperimental 3D Coordinates
researchProduct