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V-Shaped Methylpyrimidinium Chromophores for Nonlinear Optics

Authors: Achelle Sylvain | Verbitskiy Egor V | Fecková Michaela | Bureš Filip | Barsella Alberto | Robin-le Guen Francoise

Year: 2021

Type of publication: článek v odborném periodiku

Name of source: ChemPlusChem

Publisher name: Wiley-VCH

Place: Weinheim

Page from-to: 758–762

Titles:

Language	Name	Abstract	Keywords
cze	Methylpyrimidiniové chromofory tvaru V pro nelineární optiku	Byla připravena série čtyř methypyrimidiniových solí tvaru písmene V nesoucích elektrondonorní difenylaminoskupiny v různých polohách pyrimidiniového jádra. Syntéza byla jvedena jako regioselektivní N(1) methylace methyl-methansulfonátem. Byly měřeny lineárně-optické vlastnosti a elektronové vlastnosti byly konfrontovány s DFT kalkulacemi.	chromofory; donor-akceptorový systém, fotofyzika; pyrimidiny
eng	V-Shaped Methylpyrimidinium Chromophores for Nonlinear Optics	A series of four V-shaped methylpyrimidinium salts bearing diphenylamino-electron-donating groups appended at various pyrimidine positions were designed. These chromophores were obtained by regioselective N(1) monomethylation by methyl methanesulfonate of the pyrimidine core. Linear optical properties were studied experimentally and electronic properties were further completed by (TD)-DFT calculations. The second-order nonlinear optical (NLO) properties were also studied using electric field induced second harmonic generation (EFISH) method in chloroform, and all pyrimidinium salts exhibited mu beta(0)>1000x10(-48) esu. The 2,4-disubstituted pyrimidinium core is preferred over 4,6-disubstitution as it enhances the NLO response and increases the dipole moment. (E,E)-2,4-Bis[4-(diphenylamino)styryl]-1-methylpyrimidin-1-ium methanesulfonate appears to be the best NLO-phore in chloroform in the series (mu beta(0)=2500x10(-48) esu) and a figure of merit mu beta(0)/MW=3.4 10(-48) esu mol g(-1).	chromophores; donor-acceptor systems; photophysics; pyrimidines; second-order nonlinear optics