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Nonlinear Optical Properties of Porphyrin, Fullerene and Ferrocene Hybrid Materials.

ABSTRACT: In this research, we investigated the second-order nonlinear optical (NLO) properties of multicomponent hybrid materials formed by meso-tetraphenylporphyrin P (both as free base and Zn^II complex), carrying in 2 or 2,12 β-pyrrolic position an electron donor ferrocene (Fc), and/or an electron acceptor fullerene (C60) moiety, connected to the porphyrin core via an ethynyl or an ethynylphenyl spacer. We measured the NLO response by the electric-field-induced second-harmonic generation (EFISH) technique in CH₂Cl₂ solution with a 1907 nm incident wavelength, recording for all the investigated compounds unexpected negative values of μβ₁₉₀₇. Since density functional theory (DFT) calculations evidenced for P-Fc dyads almost null ground state dipole moments and very low values for P-C60 dyads and Fc-P-C60 triads, our EFISH results suggested a significant contribution to γ_EFISH of the purely electronic cubic term γ(-2ω; ω, ω, 0), which prevails on the quadratic dipolar orientational one μβ(-2ω; ω, ω)/5kT, as confirmed by computational evidence.

SUBMITTER: Limosani F

PROVIDER: S-EPMC8401996 | biostudies-literature |

REPOSITORIES: biostudies-literature

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