DFT Study on the Reaction Mechanism of Cyclization of 2-Hydroxy Chalcone Catalyzed by Bronsted Acid with M06-2X Functional

DFT Study on the Reaction Mechanism of Cyclization of 2-Hydroxy Chalcone Catalyzed by Bronsted Acid with M06-2X Functional

Flavanones are one of the flavonoid group that has wide variety of applications such as a precursors in drug discovery. In the laboratory, flavanone is often synthesized from chalcone compounds. The conversion of chalcone to flavanone can be catalyzed by bronsted acid. The reaction mechanism for thi...

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Bibliographic Details
Main Authors: Suci Zulaikha Hildayani, Muhamad Abdulkadir Martoprawiro, Yana Maolana Syah
Format: Article
Language:English
Published: Masyarakat Katalis Indonesia - Indonesian Catalyst Society (MKICS) 2021-12-01
Series:Bulletin of Chemical Reaction Engineering & Catalysis
Subjects:
dft
reaction mechanism
chalcone conversion
pcm models
m06-2x
Online Access:https://journal.bcrec.id/index.php/bcrec/article/view/11487

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