http://www.cnr.it/ontology/cnr/individuo/prodotto/ID48489
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 (Articolo in rivista)
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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 (Articolo in rivista) (literal)
- Anno
- 2010-01-01T00:00:00+01:00 (literal)
- Alternative label
Nunzi, Francesca; Fantacci, Simona; Cariati, Elena; Tordin, Elisa; Casati, Nicola; Macchi, Piero (2010)
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
in Journal of materials chemistry (Print)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Nunzi, Francesca; Fantacci, Simona; Cariati, Elena; Tordin, Elisa; Casati, Nicola; Macchi, Piero (literal)
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- DI 10.1039/c0jm00466a (literal)
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- [Nunzi, Francesca; Fantacci, Simona] Univ Perugia, Ist CNR Sci & Tecnol Mol ISTM CNR, Dipartimento Chim, I-06123 Perugia, Italy.
[Cariati, Elena; Tordin, Elisa] Univ Milan, Dipartimento Chim Inorgan Metallorgan & Analit La, I-20133 Milan, Italy.
[Cariati, Elena; Tordin, Elisa] UdR INSTM Milano, I-20133 Milan, Italy.
[Casati, Nicola; Macchi, Piero] Univ Milan, Dipartimento Chim Strutturale & Stereochim Inorga, I-20133 Milan, Italy.
[Casati, Nicola; Macchi, Piero] Univ Milan, Ctr Eccellenza CIMAINA, I-20133 Milan, Italy.
[Macchi, Piero] Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland. (literal)
- Titolo
- 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 (literal)
- Abstract
- Co-crystallization of p-N(CH3)(2)C6H4CHO 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)(2)C6H4CHO, 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. (literal)
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