Crystal Structure and Theoretical Investigation of Thiobarbituric Acid Derivatives as Nonlinear Optical (NLO) Materials

Crystal Structure and Theoretical Investigation of Thiobarbituric Acid Derivatives as Nonlinear Optical (NLO) Materials

Here we report on the crystal structure of three enamine/imine TBA derivatives (<b>1</b>–<b>3</b>). Since the derivatives can take the form of enamine or imine tautomers, theoretical calculations were made to confirm that the former predominates due to higher stability (therm...

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Xehetasun bibliografikoak
Egile Nagusiak: Anamika Sharma, Assem Barakat, Hessa H. Al-Rasheed, Abdullah Mohammed Al-Majid, Sammer Yousuf, M. Iqbal Choudhary, Ayman El-Faham, Beatriz G. de la Torre, Fernando Albericio
Formatua: Artikulua
Hizkuntza:English
Argitaratua: MDPI AG 2020-05-01
Saila:Crystals
Gaiak:
crystals
Enamine/imine tautomer
DFT
NLO
hyperpolarizability
Sarrera elektronikoa:https://www.mdpi.com/2073-4352/10/6/442

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https://www.mdpi.com/2073-4352/10/6/442

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