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Full-Text Articles in Chemistry

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath Mar 2022

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO2), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO2 is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (Olatt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …


Intramolecular Friedel-Crafts Addition Of Indoles To Tertiary Allylic Alcohols, Bryan H. Wakefield, Romie Barnes, Traeannah Brown, Ashley M. Jones, Victoria A. Knotts, Christina Martinetti Feb 2022

Intramolecular Friedel-Crafts Addition Of Indoles To Tertiary Allylic Alcohols, Bryan H. Wakefield, Romie Barnes, Traeannah Brown, Ashley M. Jones, Victoria A. Knotts, Christina Martinetti

Journal of the South Carolina Academy of Science

An intermolecular Friedel-Crafts alkylation of indole and tertiary allylic alcohols has been developed. The allylic alcohols were synthesized using a two-step procedure, then exposure of these alcohols to diphenyl phosphate facilitated the desired annulation reaction. This reaction tolerated a variety of indole substitutions to yield 1H,2H,3H,4H-pyrido[1,2-a]indoles.


Heterogenous Reduction Of Co2 Over Boron-Rich Alb2, Jose C. Berger Jan 2022

Heterogenous Reduction Of Co2 Over Boron-Rich Alb2, Jose C. Berger

Honors Undergraduate Theses

Evidence suggests that the recent drastic changes in the global climate have been caused by greenhouse gases, especially CO­2. As a result, scientists are aiming to develop processes that either minimize the production of these gases or convert them into products of higher value. To that end, the catalytic properties of a two-dimensional boron-rich material were investigated. Herein is reported that such a material can reduce CO2 into benzene, C3 species, and C4 species at relatively low temperatures (225-450 ℃) and pressures (0.38 MPa). Current data suggest that a low-temperature induction period (e.g., 225 ℃) …