V‐Shaped Methylpyrimidinium Chromophores for Nonlinear Optics

نویسندگان

چکیده

A series of four V-shaped methylpyrimidinium salts bearing diphenylamino-electron-donating groups appended at various pyrimidine positions were designed. These chromophores obtained by regioselective N(1) monomethylation methyl methanesulfonate the core. Linear optical properties studied experimentally and electronic further completed (TD)-DFT calculations. The second-order nonlinear (NLO) also using electric field induced second harmonic generation (EFISH) method in chloroform, all pyrimidinium exhibited μβ0>1000×10−48 esu. 2,4-disubstituted core is preferred over 4,6-disubstitution as it enhances NLO response increases dipole moment. (E,E)-2,4-Bis[4-(diphenylamino)styryl]-1-methylpyrimidin-1-ium appears to be best NLO-phore chloroform (μβ0=2500×10−48 esu) a figure merit μβ0/MW=3.4 10−48 esu mol g−1.

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ژورنال

عنوان ژورنال: ChemPlusChem

سال: 2021

ISSN: ['1212-6950', '0010-0765']

DOI: https://doi.org/10.1002/cplu.202100081