Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push–pull boronate derivatives
2002; Royal Society of Chemistry; Volume: 12; Issue: 10 Linguagem: Inglês
10.1039/b205308j
ISSN1364-5501
AutoresHoracio Reyes, Blanca M. Munõz, Norberto Farfán, Rosa Santillán, Susana Rojas‐Lima, Pascal G. Lacroix, Keitaro Nakatani,
Tópico(s)Crystal structures of chemical compounds
ResumoA series of eighteen new 'push–pull' molecules obtained by self-assembly of salicylideniminophenols and various phenylboronic acids is reported. Electric field-induced second-harmonic measurements of the nonlinear optical response reveal that the nature of the phenylboron moieties has a modest influence on the molecular hyperpolarizabilities (β). The crystal data available suggest the possibility of easy rotation of the phenyl substituents, with an energy barrier around 10 kcal mol−1, while a computational investigation conducted at the semi-empirical (INDO) level leads to a prediction of 30% β-modulation occuring upon the rotation.
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