N-Borylated Hydroxylamines [B12H11NH2OH]– as a Novel Type of Substituted Derivative of the closo-Dodecaborate Anion
А. V. Nelyubin, Н. А. Селиванов, A. Yu. Bykov, I. N. Klyukin, Alexander S. Novikov, Andrey P. Zhdanov, К. Yu. Zhizhin, Nikolay T. Kuznetsov
Abstract
Abstract Methods for the preparation of N-substituted hydroxylamine [B12H11NH2OH]– have been developed and optimized. The possibility of using two synthetic methods has been shown: (i) based on the hydroxylation of the deprotonated amino-closo-dodecaborate and (ii) the ipso-substitution of the iodonium substituent with free hydroxylamine. A theoretical study of the [B12H11NH2OH]– anion has been carried out by quantum-chemical calculations in the framework of density functional theory in order to determine its main structural characteristics.
Topics & Concepts
DeprotonationHydroxylamineChemistrySubstituentQuantum chemicalDerivative (finance)IonDensity functional theoryMedicinal chemistryHydroxylationComputational chemistryStereochemistryMoleculeOrganic chemistryFinancial economicsEconomicsEnzymeBoron Compounds in ChemistryRadioactive element chemistry and processingChemical Synthesis and Characterization