A DFT Study of the Geometrical, Spectroscopical and Reactivity Properties of Diindolylmethane-Phenylboronic Acid Hybrids

A DFT Study of the Geometrical, Spectroscopical and Reactivity Properties of Diindolylmethane-Phenylboronic Acid Hybrids

The structure of the ortho-, meta- and para- hybrid diindolylmethane-phenylboronic acids and their interactions were optimized with by a quantum chemical method, using density functional theory at the (DFT) level. Thus, infrared bands were assigned based on the scaled theoretical wavenumbers by corr...

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Bibliographic Details
Main Authors: Amira Jalil Fragoso-Medina, René Gerardo Escobedo-González, María Inés Nicolás-Vázquez, Gabriel Arturo Arroyo-Razo, María Olivia Noguez-Córdova, René Miranda-Ruvalcaba
Format: Article
Language:English
Published: MDPI AG 2017-10-01
Series:Molecules
Subjects:
boronic acids
diindolylmethane
spectroscopy
DFT calculations
hydrogen bonds
Online Access:https://www.mdpi.com/1420-3049/22/10/1744

Internet

https://www.mdpi.com/1420-3049/22/10/1744

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