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Issue 36, 2010
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Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties

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Abstract

Co-crystallization of p-N(CH3)2C6H4CHO and E-4-(4-dimethylaminostyryl)-1-methylpyridinium iodide ([DAMS]I) gives a new solid state form (A), characterized by high non-linear-optical (NLO) activity and quite different from the well known [DAMS]I salt (centrosymmetric and therefore inactive). The X-ray structural characterization, although affected by the extended disorder of p-N(CH3)2C6H4CHO, addresses a new kind of aggregation for the [DAMS+] chromophore molecules. In fact, together with the often encountered J-type aggregation, an unprecedented “fishbone” coupling is observed. Calculations using time-dependent density functional theory (TDDFT) prove that the absence of a J-aggregation band in the electronic absorption spectrum is due to the additional intermolecular interaction that quenches the expected J-type signal. Correlation between supramolecular arrangements of the chromophores and NLO properties is also discussed.

Graphical abstract: Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties

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Article information


Submitted
20 Feb 2010
Accepted
29 May 2010
First published
02 Aug 2010

J. Mater. Chem., 2010,20, 7652-7660
Article type
Paper

Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: synthesis, structural characterization and theoretical investigation of its electronic properties

F. Nunzi, S. Fantacci, E. Cariati, E. Tordin, N. Casati and P. Macchi, J. Mater. Chem., 2010, 20, 7652
DOI: 10.1039/C0JM00466A

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