Author: Okan Köksal

0000000000711448

AUTHOR

Okan Köksal

CF3: An Electron-Withdrawing Substituent for Aromatic Anion Acceptors? “Side-On” versus “On-Top” Binding of Halides

The ability of multiple CF3 -substituted arenes to act as acceptors for anions is investigated. The results of quantum-chemical calculations show that a high degree of trifluoromethyl substitution at the aromatic ring results in a positive quadrupole moment. However, depending on the polarizability of the anion and on the substitution at the arene, three different modes of interaction, namely Meisenheimer complex, side-on hydrogen bonding, or anion-π interaction, can occur. Experimentally, the side-on as well as a η(2) -type π-complex are observed in the crystal, whereas in solution only side-on binding is found.

research product

CCDC 1040204: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040206: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040201: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040203: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040202: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040207: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

CCDC 1040205: Experimental Crystal Structure Determination

Related Article: Markus Albrecht, Yi Hai, Okan Köksal, Gerhard Raabe, Fangfang Pan, Arto Valkonen and Kari Rissanen|2016|Chem.-Eur.J.|22|6596|doi:10.1002/chem.201600249

research product

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