Exploring crystal, electronic, optical and NLO properties of ethyl 4-(3,4-dimethoxy phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro pyrimidine-5-carboxylate (MTTHPC)

Both theoretical and experimental studies are briefly discussed to shed lights on crystal shape, FT-IR, electronic, and non-linear opto-response (NLO) characteristics of ethyl4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (MTTHPC). Theoretical FT_IR results are in a proper concord with recorded measurements. MTTHPC has TDM (4.78 Debye) and a doublet spins that splits original FMOs into alpha and beta(down arrow, 1.28 eV) offsets, respectively. MTTHPC is a potential competitor for finest perovskite solar cells (MAPbI(3)/Au-nanospheres) that possess a band offset (3.1eV) with conversion-efficiency 24.84%. MTTHPC may be the next chapter for unique avalanche photodetectors (APD). MTTHPC 1st order hyperpolarizability is 14.15esu, surpass reference urea (approximate to 40 beta urea,beta urea=esu). Briefly, MTTHPC may be admitted as the next stage in forthcoming NLO technology.

Automated summary

The article briefly discusses the crystal shape, FT-IR, electronic, and non-linear opto-response characteristics of MTTHPC, highlighting its potential as a competitor in the fields of perovskite solar cells and avalanche photodetectors.