Theoretical evaluation of novel organic materials for electro-optic modulation

John O. Morley

doi:10.1117/12.139189

25 February 1993 Theoretical evaluation of novel organic materials for electro-optic modulation

John O. Morley

Proceedings Volume 1775, Nonlinear Optical Properties of Organic Materials V; (1993) https://doi.org/10.1117/12.139189
Event: San Diego '92, 1992, San Diego, CA, United States

Abstract

Calculations are reported on the structure of donor-acceptor phenylazobenzenes, phenylazonaphthalenes, phenylazoanthracenes, and phenylazoheterocycles using the AM1 molecular orbital method. The spectra and hyperpolarizabilities of these systems have been calculated using a modified version of the sum-over-states CNDOVSB method specifically parameterized for electro-optic modulation. The replacement of one phenyl ring of the phenylazobenzenes by naphthalene or anthracene results in a modest increase in the hyperpolarizability but the value obtained is highly dependent on the position of the donor group and the tautomeric form. Enhanced values are obtained when a heterocyclic ring is incorporated into the azoarene with the largest value obtained for a donor-acceptor naphthylazothiophene. Substantial resonance enhancement effects occur for those derivatives which absorb in the red or infrared region of the spectrum.

Citation Download Citation

John O. Morley "Theoretical evaluation of novel organic materials for electro-optic modulation", Proc. SPIE 1775, Nonlinear Optical Properties of Organic Materials V, (25 February 1993); https://doi.org/10.1117/12.139189

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