Title

1,6;2,3-Bis-BN Cyclohexane: Synthesis, Structure, and Hydrogen Release

Publication Name

Journal of the American Chemical Society

Abstract

BN/CC isosterism has been widely investigated as a strategy to expand carbon-based compounds. The introduction of BN units in organic molecules always results in novel properties. In this work, we reported the first synthesis and characterization of 1,6;2,3-bis-BN cyclohexane, an isostere of cyclohexane with two adjacent BN pairs. Its ring flipping barrier is similar to that of cyclohexane. Protic hydrogens on N in 1,6;2,3-bis-BN cyclohexane show higher reactivity than its isomeric bis-BN cyclohexane. This compound exhibits an appealing hydrogen storage capability of >9.0 wt %, nearly twice as much as the 1,2;4,5-bis-BN cyclohexane.

Open Access Status

This publication is not available as open access

Funding Number

20200925152822004

Funding Sponsor

Alexander von Humboldt-Stiftung

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Link to publisher version (DOI)

http://dx.doi.org/10.1021/jacs.1c13581