Static polarizability of molecular materials: environmental and vibrational contributions

Details Static polarizability of molecular materials: environmental and vibrational contributions Static polarizability of molecular materials: environmental and vibrational contributions

2003-07-23

arxiv.org/abs/physics/0307111v1

Physics

Chemical Physics

18 pages, including 9 figures

Scientific paper

Modeling the dielectric behavior of molecular materials made up of large pi-conjugated molecules is an interesting and complex task. Here we address linear polarizabilities, and the related dielectric constant, of molecular crystals and aggregates made up of closed-shell pi-conjugated molecules with either a non-polar or largely polar ground-state, and also examine the behavior of mixed-valence (or charge-transfer) organic salts. We recognize important collective phenomena due to supramolecular interactions in materials with large molecular polarizabilities, and underline large vibrational contributions to the polarizability in materials with largely delocalized electrons.

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