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Issue 36, 2017
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Superlinear amplification of the first hyperpolarizability of linear aggregates of DANS molecules

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Abstract

A bottom-up modelling strategy is adopted to discuss the linear and nonlinear optical spectra of a prototypical push–pull dye, 4-dimethylamino-4′-nitrostilbene (DANS), in different environments, from solutions to linear aggregates, fully accounting for the molecular polarity and polarizability. In particular, we demonstrate a large amplification of the first hyperpolarizability of linear aggregates with a superlinear dependence on the aggregate size. Results are discussed with reference to recent experiments for DANS molecules aligned inside single-wall carbon nanotubes, leading to a complete and internally consistent description of the observed spectral properties in terms of ∼7 aligned molecules, reducing by an order of magnitude the size of the aggregate estimated in the hypothesis of linear amplification, as expected for non-interacting molecules. This has important implications for material design: it is possible to obtain a large amplification of the first hyperpolarizability by aligning just a few DANS molecules (or more generally, a few polar dyes showing normal solvatochromism) without the need to grow large ordered systems.

Graphical abstract: Superlinear amplification of the first hyperpolarizability of linear aggregates of DANS molecules

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Publication details

The article was received on 13 Jul 2017, accepted on 23 Aug 2017 and first published on 23 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP04732K
Citation: Phys. Chem. Chem. Phys., 2017,19, 24979-24984
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    Superlinear amplification of the first hyperpolarizability of linear aggregates of DANS molecules

    S. Sanyal, C. Sissa, F. Terenziani, S. K. Pati and A. Painelli, Phys. Chem. Chem. Phys., 2017, 19, 24979
    DOI: 10.1039/C7CP04732K

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