Title of article
The synthesis, X-ray and DFT structures of the free ansa–cyclopentadiene ligand C5H5CMe2CMe2C5H5
Author/Authors
Tacke، Matthias نويسنده , , Dunne، John Patrick نويسنده , , Fox، Shona نويسنده , , Linti، Gerald نويسنده , , Teuber، Roland نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
-196
From page
197
To page
0
Abstract
The title compound 2,3-dicyclopentadiene-2,3-dimethylbutane (C5H5CMe2CMe2C5H5) 1 shows the typical staggered conformation of a highly substituted ethane derivative with the two largest substituents (C5H5) adopting a trans position. The molecule shows C2 symmetry about the central C–C bond. Due to the high substitution, the central bond of the ethane is elongated to 160.0 pm (X-ray structure analysis) while the DFT calculation finds a value of 159.2 pm.
Keywords
Phenantroline , Copper complexes , Oxalato , Non-covalent interactions , crystal structure
Journal title
Journal of Molecular Structure
Serial Year
2001
Journal title
Journal of Molecular Structure
Record number
55305
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