Issue 11, 2024

Conditions for the efficiency of optical limiting based on experiment and quantum chemical calculations

Abstract

The development of suitable protection against laser radiation has proven challenging due to the lack of predictive models. The purpose of this article is to exclude the existing drawback by creating a universal strategy based on correlations between experimental and theoretical data characterizing the nonlinear optical properties of absorbers, for which a series of low-symmetry penta(chloro)cyclotriphosphazene-substituted monophthalocyanines was chosen. To search for correlations on a small series of dyes, we used the advanced algorithm CORRELATO, which has been proven to construct even the most unusual relationships demonstrated in our previous works. Due to the reducing symmetry of molecules, large values of the nonlinear absorption coefficient (more than 3000 cm GW−1) and, as a result, wide dynamic ranges (up to 630) with a high degree of attenuation of nanosecond laser radiation (10–20 times) were achieved. The use of the finite-field DFT method has allowed the calculation of dipole moments, polarizabilities and hyperpolarizabilities. The numerical data obtained during the calculations were used in correlations of theory vs. experiment to derive mathematical expressions (inequalities) to assess the effectiveness of absorbers in limiting the power of laser radiation.

Graphical abstract: Conditions for the efficiency of optical limiting based on experiment and quantum chemical calculations

Supplementary files

Article information

Article type
Paper
Submitted
05 Jan 2024
Accepted
23 Feb 2024
First published
26 Feb 2024

Phys. Chem. Chem. Phys., 2024,26, 8965-8972

Conditions for the efficiency of optical limiting based on experiment and quantum chemical calculations

A. Yu. Tolbin, M. S. Savelyev, P. N. Vasilevsky and A. Yu. Gerasimenko, Phys. Chem. Chem. Phys., 2024, 26, 8965 DOI: 10.1039/D4CP00055B

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