Subject Area

Biology; Chemistry

Description

Major: Biochemistry
Faculty Mentor: Dr. Seann Mulcahy

Axially chiral molecules that have high barriers to rotation about a single bond are called atropisomers. This project aims to expand information on atropisomeric β-carbolines by utilizing computational chemistry to generate energy profiles and determine the barriers to rotation of a library of atropisomeric β-carboline compounds using the program Spartan. Various substituents on the atropisomeric β-carboline scaffold can impact steric strain, electronic effects, and intramolecular hydrogen bonding in the molecule. These factors can impede bond rotation. We will be able to determine which atropisomeric β-carbolines are the best suited to synthesize experimentally using knowledge about each substituent’s impact on the atropisomeric barrier to rotation.

Publisher

Providence College

Date

4-29-2021

Start Date

4-29-2021 12:00 AM

Type

Poster

.pdf

Language

English

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