Investigation of the molecular structures, electronic properties and vibrational spectrum of trifluoroacetophenone using density functional theory

HIGHLIGHTS

• who: ( and colleagues from the Department of Chemical and Process Engineering Technology, Jubail Industrial College have published the Article: Investigation of the Molecular Structures, Electronic Properties and Vibrational Spectrum of Trifluoroacetophenone Using Density Functional Theory, in the Journal: (JOURNAL) of February/07,/2022
• what: An accurate understanding of the structures of fluoroalkyl ke- tones is desirable for the development of structure-activity relationships of fluorinated catalysts and polymers Owing to the important applications of the TFAP molecule, this study explores the theoretical molecular structure, electronic properties and infrared spectrum of TFAP.

SUMMARY

 



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