Author: Okan Köksal

0000000001304870

AUTHOR

Okan Köksal

showing 8 related works from this author

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

2016

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.

Trifluoromethyl010405 organic chemistryHydrogen bondChemistryStereochemistryOrganic Chemistryanion acceptorsSubstituentGeneral ChemistryCrystal structureCF3-substituted arenes010402 general chemistryRing (chemistry)01 natural sciencesCatalysisMeisenheimer complex3. Good health0104 chemical sciencesCrystallographychemistry.chemical_compoundPolarizabilityPolar effectta116Chemistry: A European Journal

researchProduct

CCDC 1040204: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters14-dibenzyl-14-diazoniabicyclo[2.2.2]octane dibromide methanol solvate monohydrateExperimental 3D Coordinates

researchProduct

CCDC 1040206: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-(35-bis(trifluoromethyl)benzyl)-4-aza-1-azoniabicyclo[2.2.2]octane bromideExperimental 3D Coordinates

researchProduct

CCDC 1040201: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallography1-(35-bis(trifluoromethyl)benzyl)-2-carboxypyrrolidinium chlorideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 1040203: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographytetrabutylammonium bromide bis(35-bis(trifluoromethyl)benzamide)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 1040202: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersN-(35-bis(trifluoromethyl)benzyl)-3-(((35-bis(trifluoromethyl)benzyl)oxy)carbonyl)anilinium chlorideExperimental 3D Coordinates

researchProduct

CCDC 1040207: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrabutylammonium bis(35-bis(trifluoromethyl)benzoyl)azanideExperimental 3D Coordinates

researchProduct

CCDC 1040205: Experimental Crystal Structure Determination

2016

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

Space GroupCrystallography1-(35-bis(trifluoromethyl)benzyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

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