The synthesis and structural aspects of the perbromo-functionalised thiaboranes closo-SBnBrn (n = 5, 9, 11): the solid-state structure of the octahedral closo-SB5Br5, governed by strong dihalogen contacts

Abstract

Co-pyrolysis reactions of B₂Br₄ with S₂Br₂ at 350 °C in vacuo yielded the brominated thiaboranes closo-SB₅Br₅ (1), closo-1-SB₉Br₉ (2) and closo-SB₁₁Br₁₁ (3), confirmed by high-resolution mass spectrometry, experimental and computational ¹¹B NMR spectroscopy. The strong Br^δ+(σ-hole)⋯Br^δ−(ring) attraction has been the decisive energy contribution in the crystal of 1.