New Methods for Preparation of the Monofluorosubstituted Derivative of the closo-Borate Anion [2-B10H9F]2–, Its Properties, and Analysis of Its Reactivity

Abstract

Abstract: New methods for the preparation of a monofluoro-substituted derivative of the closo-decaborate anion [2-B10H9F]2– have been developed. Various synthetic strategies have been used, where Bu4NF, Me4NF, KF/18-crown-6, and NH4HF2 act as sources of the F– anion. A feature of the proposed methods is the absence of HF as a fluorinating agent in the reaction mixture. In the course of the work, the optimal conditions for the synthesis of [2-B10H9F]2– have been determined and the reaction products have been characterized. Using theoretical modeling methods, the main indices of reactivity of monofluorinated derivatives of the closo-decaborate anion have been calculated. The influence of solvation effects on the nucleophilicity of target objects has been studied. The structure of the obtained compounds has been confirmed by 1H, 11B, 19F NMR spectroscopy, and ESI mass spectroscopy.