HeI photoelectron spectroscopy of trialkylaluminum and dialkylaluminum hydride compounds and their oligomers

Gábor Vass, G. Tarczay, G. Magyarfalvi, András Bödi, László Szepes

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The HeI photoelectron spectra of trimethylaluminum, triethylaluminum, dimethylaluminum, and diethylaluminum hydrides were recorded as a function of temperature. From the spectra observed at different temperatures the spectra of the pure monomers and the trimethylaluminum, dimethylaluminum, and diethylaluminum hydride dimers and some of the bands related to the dimethylaluminum hydride trimer have been obtained. The spectra were interpreted with the aid of ab initio quantum chemical calculations, including Hartree-Fock/Koopmans, outer valence Green's function, and equation of motion coupled-cluster ionization energy calculations. The vertical ionization energies predicted by the latter two methods are in excellent agreement with the experimental values. Furthermore, the association capability of these compounds, the effects of the substituents, and the degree of association on the electronic structure are also discussed.

Original languageEnglish
Pages (from-to)2751-2757
Number of pages7
JournalOrganometallics
Volume21
Issue number13
DOIs
Publication statusPublished - Jun 24 2002

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Photoelectron spectroscopy
oligomers
Oligomers
Hydrides
hydrides
Ionization potential
photoelectron spectroscopy
Association reactions
Photoelectrons
Green's function
ionization
Dimers
Equations of motion
Electronic structure
trimers
Monomers
Temperature
equations of motion
photoelectrons
Green's functions

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

Cite this

HeI photoelectron spectroscopy of trialkylaluminum and dialkylaluminum hydride compounds and their oligomers. / Vass, Gábor; Tarczay, G.; Magyarfalvi, G.; Bödi, András; Szepes, László.

In: Organometallics, Vol. 21, No. 13, 24.06.2002, p. 2751-2757.

Research output: Contribution to journalArticle

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AU - Bödi, András

AU - Szepes, László

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AB - The HeI photoelectron spectra of trimethylaluminum, triethylaluminum, dimethylaluminum, and diethylaluminum hydrides were recorded as a function of temperature. From the spectra observed at different temperatures the spectra of the pure monomers and the trimethylaluminum, dimethylaluminum, and diethylaluminum hydride dimers and some of the bands related to the dimethylaluminum hydride trimer have been obtained. The spectra were interpreted with the aid of ab initio quantum chemical calculations, including Hartree-Fock/Koopmans, outer valence Green's function, and equation of motion coupled-cluster ionization energy calculations. The vertical ionization energies predicted by the latter two methods are in excellent agreement with the experimental values. Furthermore, the association capability of these compounds, the effects of the substituents, and the degree of association on the electronic structure are also discussed.

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