Prediction, molecular design and directed synthesis of new coordination compounds of metals of groups II and III of the periodic system with desired optical properties

Which priority area of ​​science and technology does it correspond to: fundamental scientific research on the most important problems of developing scientific, technical, socio-economic, socio-political, human potential to ensure the competitiveness of Ukraine in the world and the sustainable development of society and the state.

Research: fundamental

Prospect for further execution: to be continued as a targeted fundamental

Research level: no analogues in Ukraine.

Patent: no.

What additional actions require further research: additional funding, modern scientific equipment.

Brief description, advantages, further prospects for application.

The effect of the structure of benzo[d]imidazole derivatives on their spectral and luminescent properties is analyzed. The maximum phosphorescence wavelength in nm (phosphorus) was used as the property under study. The linear regression method (MLR) was used to find a linear relationship between the property (λphosphorus) and structural parameters – the number of methylene groups between benzo[d]imidazoles, the presence of a lanthanide ion (0, 1 -indicator variable). The coefficient of determination for the training sample R2

=0.84, confidence interval for R: [0.67; 0.98], coefficient of determination for the cross-validation procedure Q2 = 0.75, Fisher coefficient F = 30.74. The interpretation of these models suggests that the phosphorescence wavelength of phosphorus depends on the distance between the heterocycles in the macrocyclic compound. This distance is precisely controlled by the carbon chain between the heterocycles. The shorter this chain, the greater the value of λphosphorus. It can be assumed that the presence of the Lu(3+) ion changes the conformation of the macroheterocycle (the presence of complex formation has not yet been confirmed) and further reduces the distance between the benzimidazole fragments, which leads to an increase in the wavelength λphosph. at 15 nm on average.

Thus, approaches to the targeted preparation of compounds whose luminescent properties can change under external action are being studied. The advantage of systems based on heteronuclear lanthanide complexes of benzimidazocrowne ethers in comparison with known lanthanide compounds is the possibility of significantly increasing the luminescence quantum yield.

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