Title of article
Structure of 1-Thia-closo-dodecaborane(11), 1-SB11H11, as Determined by Microwave Spectroscopy Complemented by Quantum Chemical Calculations
Author/Authors
Mollendal، Harald نويسنده , , Samdal، Svein نويسنده , , Holub، Josef نويسنده , , Hny، Drahomir نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
-3042
From page
3043
To page
0
Abstract
The microwave spectrum of 1-thia-closo-dodecaborane(11), I-SEiiHii, has been investigated in the 23-62 GHz spectral region. The molecule is found to have C symmetry. The spectra of several isotopomers have been assigned and a precise substitution structure of the non-hydrogen atoms has been determined. The structure is in quite good agreement with the one determined previously by electron diffraction. Density functional theory calculations at the B3LYP/cc-pVTZ level were found to predict a structure that is in good agreement with the substitution structure.
Journal title
INORGANIC CHEMISTRY
Serial Year
2003
Journal title
INORGANIC CHEMISTRY
Record number
66222
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