Preparation, reactions, and nuclear magnetic resonance spectra of disubstituted derivatives of the octahydrotriborate(1-) ion, [B3H6XX′]- (X = Cl, X′ = Cl, NCS, NCBH3, or NCBH2Cl); Molecular structure of [B3H6Cl2]- and partial structure of [B3H6Cl(NCS)]-

Marisa Arunchaiya, John H. Morris, Steven J. Andrews, Dorothy A. Welch, Alan J. Welch

Research output: Contribution to journalArticle

Abstract

The preparation of disubstituted derivatives of [B3H8]- with halogen or pseudo-halogen is reported. Ions studied include [B3H6Cl2]- (1), [B3H6Cl(NCS)]- (2), [B3H6Cl(NCBH3)]-, and [B3H6Cl(NCBH2Cl)]-. N.m.r. parameters show that the ions are fluxional in solution, and 11B-11B coupling is poorly resolved. The thermal stabilities, and chemical and electrochemical behaviour of representative compounds are described. The molecular structures, illustrated by [B3H6Cl2]- and [B3H6Cl(NCS)]- relate to that of [B3H8]- with trans substituents. Four molecules of [N(PPh3)2][B3H6Cl2] crystallise in space group P21/c with a = 10.9552(14), b = 12.840(9), c = 24.236(5) Å, and β = 92.298(13)°. R = 0.0728 for 3 267 data measured at room temperature. The [B3H6Cl2]- ion has effective C2 symmetry and markedly asymmetric H bridges. [N(PPh3)2][B3H6Cl(NCS)] crystallises from CH2Cl2 as a 1:1 solvate with Z = 2 in space group P1, with a = 11.2855(22), b = 14.4000(21), c = 15.708(4) Å, α = 120.680(17), β = 109.760(18), and γ = 65.971 (14)° at 185 ± 1 K. An approximate structure solution affords R = 0.1922 for 5 706 diffraction data.

Original languageEnglish
Pages (from-to)2525-2533
Number of pages9
JournalJournal of the Chemical Society, Dalton Transactions
Issue number11
DOIs
Publication statusPublished - 1984

ASJC Scopus subject areas

  • Chemistry(all)

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