A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines

2017 ◽  
Vol 46 (35) ◽  
pp. 11800-11805 ◽  
Author(s):  
Masaki Matsuda ◽  
Sayaka Iwamura ◽  
Yumi Hamada ◽  
Hiroko Ohishi ◽  
Miki Nishi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Dipole Moments ◽  
Charge Transfer Complexes ◽  
New Strategy

Introduction of asymmetry into charge-transfer complexes composed of iron phthalocyanines was achieved.

Dipole moments, charge-transfer parameters, and ionization potentials of the methyl-substituted benzene–tetracyanoethylene complexes

1970 ◽  
Vol 48 (2) ◽  
pp. 299-305 ◽  
Author(s):  
R. K. Chan ◽  
S. C. Liao
Keyword(s):  
Charge Transfer ◽  
Carbon Tetrachloride ◽  
Dipole Moments ◽  
Ionization Potentials ◽  
Charge Transfer Complexes ◽  
Variation Principle ◽  
Charge Transfer Transition ◽  
Transition Energies ◽  
Vertical Ionization Potentials ◽  
Transfer Parameters

The dipole moments of a series of charge-transfer complexes of methylbenzenes with tetracyano-ethylene in carbon tetrachloride solutions at 25 °C and the various parameters derived from Mulliken's theory have been evaluated. The energies of various states of the complexes were calculated via their relationships with the parameters, charge-transfer transition energies, and heats of formation of the complexes by means of the variation principle. Vertical ionization potentials of the donors were obtained from the calculated energies of the dative structures of the complexes. The dipole moments contributed from the charge-transfer interaction can also be reasonably interpreted as charge-transfer energies in terms of vertical ionization potentials of the donors.

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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