Possible modifications of chromophore structures with nonlinear optical properties by bonding F atoms and F-containing groups to the acceptor site of the molecules are considered. Quantum chemical calculations of dipole moments and first hyperpolarizability were performed for several nonlinear chromophores based on N-ethyl- N-(2-hydroxyethyl)-4-phenylazoaniline and modified by the addition of F atoms and F-containing groups to the acceptor site. Positions of maxima in the electronic absorption spectrum and the Mulliken charges on the atoms are found. It is shown that addition of F atoms and F-containing groups to the chromophore acceptor site changes (increases) the efficiency parameter, defined as the product of the dipole moment and the first hyperpolarizability. The main parameters of a waveguide modulator made of an electro-optical polymer composite with F-containing chromophores embedded in it are estimated.

中文翻译：

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光学非线性含氟发色团的结构和性质的计算

通过将F原子和含F的基团键合到分子的受体位点，可以对具有非线性光学性质的生色团结构进行可能的修饰。对几种基于N-乙基-N-（2-羟乙基）-4-苯基偶氮苯胺并通过向受体位点添加F原子和含F基团进行修饰的非线性生色团，进行了偶极矩和第一超极化性的量子化学计算。发现了电子吸收光谱中的最大值位置和原子上的Mulliken电荷。结果表明，向发色团受体位点添加F原子和含F的基团会改变（提高）效率参数，该效率参数定义为偶极矩与第一超极化率的乘积。