Effect of counterions on the interactions of charged oligothiophenes

Article Abstract:

Ab initio quantum chemistry methods are used to investigate the effect of common counterion hexafluorophosphate ([PF.sub.6.sup.-]) on the intermolecular interactions between charged oligothiophenes. The calculations provide quantitative and qualitative insight into the intermolecular interactions in oligothiophene-counterion systems and show that the intermolecular [Pi]-stacking of oligothiophenes is not adversely affected by the presence of counterions.

Analysis, Oxidation-reduction reaction, Oxidation-reduction reactions, Structure, Chemical properties, Thiophene, Report

---

Nonlinear infrared and optical responses of a Holstein-Peirls-Hubbard dimer

Article Abstract:

A simple model based on the Holstein-Peirls-Hubbard Hamiltonian are used to calculate the nonlinear responses at infrared and optical frequencies. The model is applied to a molecular ion radical dimer in order to account for the contribution to the nonlinear responses arising from the intermolecular charge transfer excitations and from their coupling to both intramolecular and intermolecular phonons.

---

Strong two-photon absorption in new asymmetrically substituted porphyrins: Interference between charge-transfer and intermediate-resonance pathways

Article Abstract:

The two-photon absorption (2PA) in two series of new free-base porphyrins with 4-(diphenylamino)-stilbene or 4,4'-bis-(diphenylamine)stilbene (BDPAS) attached via pi-conjugating linkers at the prophyrin meso-position is analyzes. The combined effect of these two pathways on one particular two-photon transition resulted in quantum-interference-modulated 2PA strength.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Porphyrins, Electric properties, Charge transfer

Similar abstracts:

• Abstracts: Effects of fluorine substitution on the edge-to-face interaction of the benzene dimer. Evidences of nonideal mixing in poly(ethylene glycol)/organic solvent mixtures by Brillouin scattering
• Abstracts: Design of TTF-based phosphazenes combining a good electron-donor capacity and possible inclusion adduct formation
• Abstracts: Pulsed sonoelectrochemical synthesis of size-controlled copper nanoparticles stabilized by poly(N-vinylpyrrolidone)

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.