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Electronic structure of trimethylamine alane in the solid state
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
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1995 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 235, no 5-6, 528-534 p.Article in journal (Refereed) PublishedText
Abstract [en]

The chemical and electronic structure of ultrathin molecular films of trimethylamine alane (TMAA), condensed in UHV at − 100°C, have been studied in the solid state, using both X-ray and ultraviolet photoelectron spectroscopy. The results are analyzed with the help of quantum chemical calculations at the ab initio Hartree-Fock 6-31G∗ level. Based upon the good agreement between theory and experimental, it is determined that clean, oxygen-free, condensed molecular solid films consist of the 2:1 adduct of TMAA, which was previously uncertain. In addition, based upon the electronic structure results, it is clear that the mechanism of the photodecomposition of TMAA can be explained in terms of the wavefunction of electrons photoexcited into the first unoccupied molecular orbital.

Place, publisher, year, edition, pages
Elsevier, 1995. Vol. 235, no 5-6, 528-534 p.
National Category
Physical Sciences Chemical Sciences
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URN: urn:nbn:se:liu:diva-124178DOI: 10.1016/0009-2614(95)00133-OISI: A1995QP34400022OAI: oai:DiVA.org:liu-124178DiVA: diva2:896190
Available from: 2016-01-20 Created: 2016-01-20 Last updated: 2016-02-02Bibliographically approved

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Dannetun, PerStafström, SvenSalaneck, William R.
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Department of Physics, Chemistry and BiologyThe Institute of Technology
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