Raman dispersion and intermolecular interactions in unsubstituted thiophene oligomers
Article Abstract:
A combination of the scattering Raman spectra and density functional theory calculations are used to analyze the Raman dispersion and intermolecular interactions of several unsubstituted thiophene oligomers. The results demonstrate that the intensities, as well as the frequencies are highly affected by the intermolecular interactions, which also has a strong impact on the conjugation length of the oligomers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
The effect of intermolecular dipole-dipole interaction on Raman spectra of polyconjugated molecules: density functional theory simulations and mathematical models
Article Abstract:
The effect of intermolecular dipole-dipole interactions on Raman spectra of polyconjugated molecules and also the behavior of push-pull polyenes are analyzed. Density functional theory (DFT) calculations are in good agreement with the mathematical models that are used for predicting the effect of intermolecular interactions on the vibrational spectra.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
User Contributions:
Comment about this article or add new information about this topic:
Pi-Stacking in charged thiophene oligomers
Article Abstract:
Extensive ab initio quantum chemistry methods were used to investigate the pi-stacking of oxidized thiophene oligomers. The calculations provided a detailed description of the mechanisms and the energies involved in the dimerization phenomenon and highlighted the role and importance of the environment in the stabilization of the stacks.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Photoinduced intramolecular charge transfer in donor-acceptor substituted tetrahydropyrenes. Highly efficient spectral hole-burning in oxygen-evolving photosystem II preparations
- Abstracts: Electron-phonon interactions and intra- and intermolecular charge mobility in the monocations of annulenes. Raman investigation of the N2-O2 binary system as a function of pressure and temperature
- Abstracts: Evaluation of force fields for molecular simulation of polyhedral oligomeric silsesquioxanes. Liquid phase behavior of perfluoroalkylalkane surfactants
- Abstracts: Role of the Coulombic interaction in ligand-induced biopolymer aggregation. Models of adsorption at a line of three-phase contact
- Abstracts: Modified chemistry of siloxanes under tensile stress: Interaction with environment. Ion concentration of external solution as a characteristic of micro- and nanogel ionic reservoir