Theoretical Investigation of OCN-Charge-Transfer Complexes in Condensed-Phase Media:  Spectroscopic Properties in Amorphous Ice

2004 ◽  
Vol 108 (31) ◽  
pp. 6589-6598 ◽  
Author(s):  
Jin-Young Park ◽  
David E. Woon
Keyword(s):  
Charge Transfer ◽  
Theoretical Investigation ◽  
Condensed Phase ◽  
Spectroscopic Properties ◽  
Charge Transfer Complexes ◽  
Amorphous Ice

The Geometry of Tetrathiotetracene as a Donor in Charge Transfer Complexes: an ab Initio Theoretical Investigation

1983 ◽  
Vol 101 (1-2) ◽  
pp. 175-183 ◽  
Author(s):  
J.-P. Boutique ◽  
J. Riga ◽  
J. J. Verbist ◽  
J. G. Fripiat ◽  
J. Deihalle
Keyword(s):  
Charge Transfer ◽  
Ab Initio ◽  
Theoretical Investigation ◽  
Charge Transfer Complexes

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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