Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms

D R ARMSTRONG, W CLEGG, H M COLQUHOUN, J A DANIELS, Robert Mulvey, I R STEPHENSON, K WADE

Research output: Contribution to journalArticle

44 Citations (Scopus)

Abstract

The title compound, the first alkali metal tetrahydroborate complex to be structurally characterised, has been shown by an X-ray study to be dimeric in the crystal, with each µ2,η3-BH4 group bonding to two metal atoms through one µ2-hydrogen atom apiece and also through one µ3-hydrogen atom; MO calculations at the 6-31G level on unsolvated LiBH4 and the model adducts (H2O)n·LiBH4(n= 1 or 2) and their dimers, with η2- and η3-BH4 geometries, show how their stabilities reflect the number of Li H contacts, whilst illustrating the inadequacies of LiHB and Li2HB 3- and 4-centre bond schemes for such compounds.
LanguageEnglish
Pages630-632
Number of pages3
JournalJournal of the Chemical Society, Chemical Communications
Issue number8
DOIs
Publication statusPublished - 15 Apr 1987

Fingerprint

Lithium
Hydrogen
Alkali Metals
Coordination Complexes
Metals
X-Rays
N,N,N',N'-tetramethylethylenediamine
phenyllithium

Keywords

  • lithium tetrahydroborate–tetramethylethylenediamine
  • tetrahydroborate
  • x-rays
  • hydrogen atoms

Cite this

@article{11385b36b597414497158286107bed81,
title = "Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms",
abstract = "The title compound, the first alkali metal tetrahydroborate complex to be structurally characterised, has been shown by an X-ray study to be dimeric in the crystal, with each µ2,η3-BH4 group bonding to two metal atoms through one µ2-hydrogen atom apiece and also through one µ3-hydrogen atom; MO calculations at the 6-31G level on unsolvated LiBH4 and the model adducts (H2O)n·LiBH4(n= 1 or 2) and their dimers, with η2- and η3-BH4 geometries, show how their stabilities reflect the number of Li H contacts, whilst illustrating the inadequacies of LiHB and Li2HB 3- and 4-centre bond schemes for such compounds.",
keywords = "lithium tetrahydroborate–tetramethylethylenediamine , tetrahydroborate , x-rays, hydrogen atoms",
author = "ARMSTRONG, {D R} and W CLEGG and COLQUHOUN, {H M} and DANIELS, {J A} and Robert Mulvey and STEPHENSON, {I R} and K WADE",
year = "1987",
month = "4",
day = "15",
doi = "10.1039/C39870000630",
language = "English",
pages = "630--632",
journal = "Journal of the Chemical Society, Chemical Communications",
issn = "0022-4936",
number = "8",

}

Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms. / ARMSTRONG, D R ; CLEGG, W ; COLQUHOUN, H M ; DANIELS, J A ; Mulvey, Robert; STEPHENSON, I R ; WADE, K .

In: Journal of the Chemical Society, Chemical Communications, No. 8, 15.04.1987, p. 630-632.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms

AU - ARMSTRONG, D R

AU - CLEGG, W

AU - COLQUHOUN, H M

AU - DANIELS, J A

AU - Mulvey, Robert

AU - STEPHENSON, I R

AU - WADE, K

PY - 1987/4/15

Y1 - 1987/4/15

N2 - The title compound, the first alkali metal tetrahydroborate complex to be structurally characterised, has been shown by an X-ray study to be dimeric in the crystal, with each µ2,η3-BH4 group bonding to two metal atoms through one µ2-hydrogen atom apiece and also through one µ3-hydrogen atom; MO calculations at the 6-31G level on unsolvated LiBH4 and the model adducts (H2O)n·LiBH4(n= 1 or 2) and their dimers, with η2- and η3-BH4 geometries, show how their stabilities reflect the number of Li H contacts, whilst illustrating the inadequacies of LiHB and Li2HB 3- and 4-centre bond schemes for such compounds.

AB - The title compound, the first alkali metal tetrahydroborate complex to be structurally characterised, has been shown by an X-ray study to be dimeric in the crystal, with each µ2,η3-BH4 group bonding to two metal atoms through one µ2-hydrogen atom apiece and also through one µ3-hydrogen atom; MO calculations at the 6-31G level on unsolvated LiBH4 and the model adducts (H2O)n·LiBH4(n= 1 or 2) and their dimers, with η2- and η3-BH4 geometries, show how their stabilities reflect the number of Li H contacts, whilst illustrating the inadequacies of LiHB and Li2HB 3- and 4-centre bond schemes for such compounds.

KW - lithium tetrahydroborate–tetramethylethylenediamine

KW - tetrahydroborate

KW - x-rays

KW - hydrogen atoms

U2 - 10.1039/C39870000630

DO - 10.1039/C39870000630

M3 - Article

SP - 630

EP - 632

JO - Journal of the Chemical Society, Chemical Communications

T2 - Journal of the Chemical Society, Chemical Communications

JF - Journal of the Chemical Society, Chemical Communications

SN - 0022-4936

IS - 8

ER -