Charles Joseph McGill

Works (3)

Updated: July 5th, 2023 15:32

2021 article

DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol

Clark, J. A., Thacker, P. J., McGill, C. J., Miles, J. R., Westmoreland, P. R., Efimenko, K., … Santiso, E. E. (2021, June 8). The Journal of Physical Chemistry A, Vol. 6, pp. 4943–4956.

By: J. Clark n, P. Thacker n, C. McGill n, J. Miles n, P. Westmoreland n , K. Efimenko n , J. Genzer n , E. Santiso n 

topics (OpenAlex): Organometallic Complex Synthesis and Catalysis; Carbon dioxide utilization in catalysis; Inorganic and Organometallic Chemistry
TL;DR: Calculations are used to show that esterification of TMCD and TPA will reduce and subsequently dehydrate a dimethyl tin oxide catalyst, becoming ligands on the now four-coordinate complex, a key first step in understanding polyester synthesis and avoiding undesirable side reactions during production. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 9, 2021

2021 article

Molecular Carbonyl Insertion as the Homogeneous Catalysis Mechanism for Transesterification of Dimethyl Terephthalate with Ethylene Glycol

McGill, C. J., & Westmoreland, P. R. (2021, April 5). Industrial & Engineering Chemistry Research, Vol. 60, pp. 5090–5101.

By: C. McGill n & P. Westmoreland n 

topics (OpenAlex): Organometallic Compounds Synthesis and Characterization; Thermal and Kinetic Analysis; Marine Biology and Environmental Chemistry
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 6, 2021

2018 journal article

Monosaccharide Isomer Interconversions Become Significant at High Temperatures

The Journal of Physical Chemistry A, 123(1), 120–131.

By: C. McGill n & P. Westmoreland n 

topics (OpenAlex): Catalysis for Biomass Conversion; Biofuel production and bioconversion; Thermochemical Biomass Conversion Processes
TL;DR: Quantum-chemical calculations show how low barriers to anomerization and shifting equilibria cause a significant presence of different monosaccharide isomers in high-temperature processes such as pyrolysis. (via Semantic Scholar)
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Sources: Web Of Science, Crossref, NC State University Libraries
Added: January 28, 2019

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