Theoretical study of weak CC double bond coordination in a gold (I) catalyst precursor
MP2, CCSD and DFT/B3LYP modelling were performed to gain insight into CC-Au interaction in the gold precursor [(biphenyl-NMe2)Ph2PAuCl], A. Prior to this work, the existence of CC coordination to the gold (I) center as well as the nature of this precursor structure in the phenol synthesis have remai...
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| Hauptverfasser: | , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
6 July 2010
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| In: |
Journal of molecular structure
Year: 2010, Jahrgang: 957, Heft: 1/3, Pages: 21-25 |
| ISSN: | 0166-1280 |
| DOI: | 10.1016/j.theochem.2010.06.030 |
| Online-Zugang: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1016/j.theochem.2010.06.030 Verlag, lizenzpflichtig, Volltext: https://www.sciencedirect.com/science/article/pii/S0166128010004379 
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| Verfasserangaben: | Mhamed Touil, Benjamin Bechem, A. Stephen K. Hashmi, Bernd Engels, Mohammad A. Omary, Hassan Rabaâ |