2021 journal article

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

JOURNAL OF PHYSICAL CHEMISTRY A, 125(23), 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

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)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 9, 2021

2021 journal article

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

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 60(14), 5090–5101.

By: C. McGill n & P. Westmoreland n

UN Sustainable Development Goal Categories
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

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)
UN Sustainable Development Goal Categories
Sources: Web Of Science, Crossref, NC State University Libraries
Added: January 28, 2019

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