Atomic dipole polarization in charge-transfer complexes with halogen bonding

2013 ◽  
Vol 15 (7) ◽  
pp. 2530 ◽  
Author(s):  
E. V. Bartashevich ◽  
V. G. Tsirelson
Keyword(s):  
Charge Transfer ◽  
Halogen Bonding ◽  
Charge Transfer Complexes ◽  
Atomic Dipole ◽  
Dipole Polarization

Two-point halogen bonding between 3,6-dihalopyromellitic diimides

2014 ◽  
Vol 5 (11) ◽  
pp. 4242-4248 ◽  
Author(s):  
Dennis Cao ◽  
Michael Hong ◽  
Anthea K. Blackburn ◽  
Zhichang Liu ◽  
James M. Holcroft ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Solid State ◽  
Carboxylic Acid ◽  
Halogen Bonding ◽  
Charge Transfer Complexes

The syntheses of several 3,6-dihalopyromellitic diimides have been achieved. Two-point intermolecular halogen–oxygen interactions—reminiscent of carboxylic acid dimers—are observed in the solid-state superstructures of (i) these molecules and (ii) their charge-transfer complexes with electron-rich naphthalenes.

scholarly journals Radical Perfluoroalkylation Enabled by a Catalytically Generated Halogen Bonding Complex and Visible Light Irradiation

2021 ◽  
Author(s):  
Tarannum Tasnim ◽  
Calvin Ryan ◽  
Miranda Christensen ◽  
Christopher Fennell ◽  
Spencer Pitre
Keyword(s):  
Charge Transfer ◽  
Complex Formation ◽  
Visible Light ◽  
Visible Light Irradiation ◽  
Redox Reactions ◽  
Charge Transfer Complex ◽  
Halogen Bonding ◽  
Charge Transfer Complexes ◽  
Computational Studies ◽  
The Many

Despite the many recent advances in exploiting stoichiometric charge-transfer complexes in visible light promoted single-electron redox reactions, catalytic approaches to charge-transfer complex formation remain limited. This report describes the radical perfluoroalkylation of electron-rich (hetero)arenes and iodoperfluoroalkylation of alkenes and alkynes promoted by a substituted hydroquinone catalyst. Mechanistic and computational studies indicate that the reaction is initiated by the formation of a visible light absorbing halogen bonding complex between the hydroquinone catalyst and the perfluoroalkyl iodide radical precursor.

Magnetic properties of new charge-transfer complexes based on manganese porphyrins

1997 ◽  
Vol 90 (3) ◽  
pp. 407-413
Author(s):  
MARC KELEMEN ◽  
CHRISTOPH WACHTER ◽  
HUBERT WINTER ◽  
ELMAR DORMANN ◽  
RUDOLF GOMPPER ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Charge Transfer ◽  
Charge Transfer Complexes ◽  
Manganese Porphyrins

Charge Transfer Complexation Boosts Molecular Conductance Through Fermi Level Pinning

2018 ◽  
Author(s):  
Kun Wang ◽  
Andrea Vezzoli ◽  
Iain Grace ◽  
Maeve McLaughlin ◽  
Richard Nichols ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Single Molecule ◽  
Quantum Interference ◽  
Transmission Function ◽  
Scanning Tunneling ◽  
Charge Transfer Complexes ◽  
Tunneling Microscopy ◽  
Quantum Interference Effect ◽  
Single Molecule Junctions ◽  
Charge Transfer Complexation

We have used scanning tunneling microscopy to create and study single molecule junctions with thioether-terminated oligothiophene molecules. We find that the conductance of these junctions increases upon formation of charge transfer complexes of the molecules with tetracyanoethene, and that the extent of the conductance increase is greater the longer is the oligothiophene, i.e. the lower is the conductance of the uncomplexed molecule in the junction. We use non-equilibrium Green's function transport calculations to explore the reasons for this theoretically, and find that new resonances appear in the transmission function, pinned close to the Fermi energy of the contacts, as a consequence of the charge transfer interaction. This is an example of a room temperature quantum interference effect, which in this case boosts junction conductance in contrast to earlier observations of QI that result in diminished conductance.<br>

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