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ABSTRACT
Nonlinear optical properties of 24 derivatives of [2.2]paracyclophane (pCp) have been analyzed. The set of the compounds studied include such classes as β-diketones, formyl-metoxy and formyl-hydroxy derivatives of pCp, pCp-Cr(CO)3, imines including Schiff bases. All molecules studied exhibit second harmonic generation ability, the efficiency of which was measured by the powder technique. In order to elucidate the role of intramolecular charge transfer due to transannular interaction in pCp the DFT calculations of the number of benzene analogues have been performed as well. For the first time the diastereomeric approach for the design of NLO materials was proposed and successfully utilized.
Funding
K. Lyssenko and L. Puntus are thankful to Russian Foundation for Fundamental Research (grants no. 15–03-06931, 16–03-00832) for financial support for calculation of NLO properties. L.Puntus and K. Suponitsky are thankful to Russian Scientific Foundation (grant no. 16–13-10404) for financial support for investigation of crystalline structural peculiarities of pCp derivatives.