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A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push–Pull Spirobifluorene Compounds
Author(s) -
Rizzo Fabio,
Cavazzini Marco,
Righetto Stefania,
De Angelis Filippo,
Fantacci Simona,
Quici Silvio
Publication year - 2010
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.201000335
Subject(s) - hyperpolarizability , chemistry , nonlinear optical , monomer , nonlinear optics , ab initio , computational chemistry , second harmonic generation , nonlinear system , photochemistry , molecule , organic chemistry , polymer , optics , polarizability , quantum mechanics , physics , laser
A new class of push–pull spirobifluorene compounds 1 – 5 has been synthesized. The nonlinear optical (NLO) properties (first and second hyperpolarizability β and γ , respectively)of spirobifluorene derivatives have been investigated forthe first time using electric field induced second harmonic(EFISH) and third harmonic generation (THG) methods. Moreover, a comparison with the corresponding push–pullfluorene monomers 1a – 5a was carried out. Besides the experimental data, ab initio theoretical calculations on structural, electronic, and optical properties were carried out for all compounds. The analyses indicate that an increase in the β and γ values occur on passing from monomers to dimers without compromising the optical transparency.