High-Resolution Aluminum-27 Solid-State Magic-Angle Sample-Spinning Nuclear Magnetic Resonance Spectroscopic Study of AlCl3-Tetrahydrofuran Complexes

Oc Hee Han, Eric Oldfield

Research output: Contribution to journalArticlepeer-review

Abstract

We have obtained27A1 solid-state nuclear magnetic resonance (NMR) spectra of several A1C13-THF complexes, using “magicangle” sample-spinning (MASS) NMR at high field. Our results suggest that the isotropic chemical shifts (δj) occur in relatively well defined regions for 4-, 5-, and 6-coordinate species (AIC14, ~103 ppm; A1C1THF, ~99 ppm; trans-AlCl3·2THF, ~60 ppm; trans-[AlCl2(THF)4]+, ~ 14 ppm), as found previously with aluminum oxo compounds. We also find that theoretically calculated average nuclear quadrupole coupling constants (e2qQ/h) (/ran5-[AlCl2(THF)4]+, ~6.3 MHz; trans-AlCl3·2THF, ~4.6 MHz; A1C13-THF, ~3.0 MHz; A1C14, 0 MHz) are in good accord with experimentally determined nuclear quadrupole coupling constants, determined from computer simulations of the MASS NMR spectra (trans-[AlCl2(THF)4]+, 6.4 MHz; trans-AlCl3·2THF, 4.9 MHz; A1C13·THF, 4.7 MHz; A1C14, 0.3 MHz). Both 27Al δjand e2qQ/h determinations appear to be useful as probes of structure in these systems, and thus offer a facile means of monitoring various solid-state reactions.

Original languageEnglish (US)
Pages (from-to)3666-3669
Number of pages4
JournalInorganic Chemistry
Volume29
Issue number19
DOIs
StatePublished - Jan 1 1990

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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