Crystal structure and quantum-chemical calculations of a trimethylaluminium–THF adduct

Brieger, Lukas; Hermann, Andreas; Unkelbach, Christian; Strohmann, Carsten

doi:10.1107/s2056989018001275

Cited by 3 publications

(1 citation statement)

References 21 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The reaction temperature should also never exceed −10 °C, as this is the temperature threshold beyond which decomposition of the scandium tetramethylaluminate 1 can be observed by a color change of the reaction solution from colorless to light yellow. Unfortunately, multiple recrystallization steps are necessary to remove cocrystallizing adduct [AlMe 3 (thf)], 33 which decreases the yield of the desired product.…”

Section: ■ Introductionmentioning

confidence: 99%

Trimethylscandium

2019

View full text Add to dashboard Cite

The hitherto unknown homoleptic tetramethylaluminate complex [Sc(AlMe 4 ) 3 ] could be obtained by reacting the ate complex [Li 3 ScMe 6 (thf) 1.2 ] with AlMe 3 in the cold. It cocrystallizes with AlMe 3 as [Sc-(AlMe 4 ) 3 (Al 2 Me 6 ) 0.5 ] and decomposes at ambient temperature in n-pentane via multiple C−H bond activations to the mixed methyl/methylidene complex [Sc 3 (μ 3 -CH 2 ) 2 (μ 2 -CH 3 ) 3 (AlMe 4 ) 2 (AlMe 3 ) 2 ]. Donor-induced methylaluminate cleavage of [Sc(AlMe 4 ) 3 (Al 2 Me 6 ) 0.5 ] produced [ScMe 3 ] n in good yield, which could be derivatized with trimethyltriazacyclononane (Me 3 TACN) to form the structurally characterizable [(Me 3 TACN)ScMe 3 ]. Additionally, half-sandwich complex [Cp*Sc(AlMe 4 ) 2 ] and sandwich complex [Cp* 2 Sc(AlMe 4 )] were accessible by salt metathesis reactions from [Sc-(AlMe 4 ) 3 (Al 2 Me 6 ) 0.5 ] and KCp* (Cp* = C 5 Me 5 ). 45 Sc NMR spectroscopy was applied as a significant probe to evidence the existence of [ScMe 3 ] n . Compounds [(Me 3 TACN)ScMe 3 ] (+624.6 ppm) and [ScMe 3 (thf) x ] (+601.7 ppm) gave large 45 Sc NMR shifts, revealing the strong deshielding effect of the σ-bonded alkyl ligands on the scandium nuclei. Ultimately, cationized [Sc(AlMe 4 ) 3 (Al 2 Me 6 ) 0.5 ] was employed in isoprene polymerization, leading to polymers in high yields (>95%) and with high (>90%) cis-1,4-polyisoprene content.

show abstract

Section: ■ Introductionmentioning

confidence: 99%

Trimethylscandium

2019

View full text Add to dashboard Cite

show abstract

Study on the reaction of trimethylaluminum dimer and ammonia based on density functional theory

Yuan

Zuo

Zhang

et al. 2018

Computational and Theoretical Chemistry

View full text Add to dashboard Cite

A theoretical study on the mechanism and kinetics of the Dimeric TrimethylAluminum + O2 reaction in the gas phase: A potential chain-initiation in the hypergolic combustion of TMA in air

Pham

Lin

2022

Computational and Theoretical Chemistry

View full text Add to dashboard Cite

Crystal structure and quantum-chemical calculations of a trimethylaluminium–THF adduct

Abstract: The title compound, trimethyl(tetrahydrofuran-κO)aluminium(III), is an addition product of trimethylaluminium and tetrahydrofuran (THF). Instead of a dimeric structure, which is very common for these types of compounds, a monomeric molecular structure is observed.

Cited by 3 publications

References 21 publications

Trimethylscandium

Trimethylscandium

Study on the reaction of trimethylaluminum dimer and ammonia based on density functional theory

A theoretical study on the mechanism and kinetics of the Dimeric TrimethylAluminum + O2 reaction in the gas phase: A potential chain-initiation in the hypergolic combustion of TMA in air

Contact Info

Product

Resources

About

Crystal structure and quantum-chemical calculations of a trimethylaluminium–THF adduct

Abstract: The title compound, trimeth­yl(tetra­hydro­furan-κO)aluminium(III), is an addition product of tri­methyl­aluminium and tetra­hydro­furan (THF). Instead of a dimeric structure, which is very common for these types of compounds, a monomeric mol­ecular structure is observed.

Cited by 3 publications

References 21 publications

Trimethylscandium

Trimethylscandium

Study on the reaction of trimethylaluminum dimer and ammonia based on density functional theory

A theoretical study on the mechanism and kinetics of the Dimeric TrimethylAluminum + O2 reaction in the gas phase: A potential chain-initiation in the hypergolic combustion of TMA in air

Contact Info

Product

Resources

About

Abstract: The title compound, trimethyl(tetrahydrofuran-κO)aluminium(III), is an addition product of trimethylaluminium and tetrahydrofuran (THF). Instead of a dimeric structure, which is very common for these types of compounds, a monomeric molecular structure is observed.