<abstract xmlns="http://www.w3.org/1999/xhtml"> The most stable [Al(DMSO2)3]3+ complex cation in dimethyl sulfone (DMSO2, (CH3)2SO2) has D3 symmetry with twofold axes in Al-S lines coincident with the twofold rotation axes of mutually turned DMSO2 ligands by ca 60°. The central Al atom is hexacoordinated by six O atoms with nearly octahedral coordination. More than one electron is transferred to the Al central atom from DMSO2 ligands. Weaker and longer S-O, stronger and shorter S-C bonds, lower O-S-O bond angles and greater O-S-C and C-S-C ones in [Al(DMSO2)3]3+ than in free DMSO2 are implied by weak Al-O bonding.</abstract>

The most stable [Al(DMSO2)3]3+ complex cation in dimethyl sulfone (DMSO2, (CH3)2SO2) has D3 symmetry with twofold axes in Al-S lines coincident with the twofold rotation axes of mutually turned DMSO2 ligands by ca 60°. The central Al atom is hexacoordinated by six O atoms with nearly octahedral coordination. More than one electron is transferred to the Al central atom from DMSO2 ligands. Weaker and longer S-O, stronger and shorter S-C bonds, lower O-S-O bond angles and greater O-S-C and C-S-C ones in [Al(DMSO2)3]3+ than in free DMSO2 are implied by weak Al-O bonding.

On the structure of [Al(DMSO2)3]3+

Department of Physical Chemistry, Slovak Technical University, Radlinskeho 9, SK-81237 Bratislava, Slovakia

Acta Chimica Slovaca

This article is distributed under the terms of the Creative Commons Attribution Non-Commercial License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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The most stable [Al(DMSO2)3]3+ complex cation in dimethyl sulfone (DMSO2, (CH3)2SO2) has D3 symmetry with twofold axes in Al-S lines coincident with the...

On the structure of [Al(DMSO₂)₃]³⁺

Published Online: May 27, 2014

Page range: 9 - 14

DOI: https://doi.org/10.2478/acs-2014-0002

Keywords
B3LYP, MP2, geometry optimization, electron structure, solvent effect

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This article is distributed under the terms of the Creative Commons Attribution Non-Commercial License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

On the structure of [Al(DMSO2)3]3+

Published Online: May 27, 2014

Page range: 9 - 14

DOI: https://doi.org/10.2478/acs-2014-0002

KeywordsB3LYP, MP2, geometry optimization, electron structure, solvent effect

© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava

This article is distributed under the terms of the Creative Commons Attribution Non-Commercial License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

On the structure of [Al(DMSO₂)₃]³⁺

Keywords
B3LYP, MP2, geometry optimization, electron structure, solvent effect