Event Title

Substituent Effects on Phenol

Session Number

Project ID: CHEM 02

Advisor(s)

Dr. Joseph Golab, Illinois Mathematics and Science Academy

Discipline

Chemistry

Start Date

20-4-2022 8:50 AM

End Date

20-4-2022 9:05 AM

Abstract

This project focuses on how adding various substituents to the already existing phenolmolecule will influence its structure and stability. Phenol is an antiseptic often found in household cleaners and is also used in small amounts as an anesthetic. 11 non-metal substituents are added within the para location to see whether or not the said substituent will affect the molecule. Our goal is to find a substituent that will maximize the stability of the molecule, meaning having the lowest energy difference and most similar calculations to the original. The calculations for bond distances, bond angles, molecule energies, and the main dihedral angle were measured for H, CH3, NH2, OH, F, PH2, SH, Cl, CF3, CN, and CH2CH3 substituents. Following the original calculations, data will be taken to measure the effect of two substituents on the phenol.

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Apr 20th, 8:50 AM Apr 20th, 9:05 AM

Substituent Effects on Phenol

This project focuses on how adding various substituents to the already existing phenolmolecule will influence its structure and stability. Phenol is an antiseptic often found in household cleaners and is also used in small amounts as an anesthetic. 11 non-metal substituents are added within the para location to see whether or not the said substituent will affect the molecule. Our goal is to find a substituent that will maximize the stability of the molecule, meaning having the lowest energy difference and most similar calculations to the original. The calculations for bond distances, bond angles, molecule energies, and the main dihedral angle were measured for H, CH3, NH2, OH, F, PH2, SH, Cl, CF3, CN, and CH2CH3 substituents. Following the original calculations, data will be taken to measure the effect of two substituents on the phenol.