Cintron Rosado, Gabriel A
(2018)
Computational Studies on Organo-catalyzed Selective Acylation of Carbohydrates.
Master's Thesis, University of Pittsburgh.
(Unpublished)
Abstract
To explain the catalyst dependent site-selective acylation of carbohydrates substrates, we utilized density functional theory (DFT) calculations to model the corresponding transition states. In doing so it was discovered that the selectivity of the reactions depends on presence or absence of a cation–n interaction between the cation in the acylated catalyst and an appropriate oxygen lone pair in the substrate. Overall these studies allowed for the construction of a predictive model for site-selectivity which is validated by various substrates.
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Details
| Item Type: |
University of Pittsburgh ETD
|
| Status: |
Unpublished |
| Creators/Authors: |
| Creators | Email | Pitt Username | ORCID  |
|---|
| Cintron Rosado, Gabriel A | gac50@pitt.edu | gac50 | |
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| ETD Committee: |
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| Date: |
26 September 2018 |
| Date Type: |
Publication |
| Defense Date: |
16 November 2017 |
| Approval Date: |
26 September 2018 |
| Submission Date: |
9 April 2018 |
| Access Restriction: |
No restriction; Release the ETD for access worldwide immediately. |
| Number of Pages: |
53 |
| Institution: |
University of Pittsburgh |
| Schools and Programs: |
Dietrich School of Arts and Sciences > Chemistry |
| Degree: |
MS - Master of Science |
| Thesis Type: |
Master's Thesis |
| Refereed: |
Yes |
| Uncontrolled Keywords: |
Site Selective Catalytic transition state model computational model density functional theory dft carbohydrate sugar BTM |
| Date Deposited: |
26 Sep 2018 18:30 |
| Last Modified: |
19 Jul 2024 19:14 |
| URI: |
http://d-scholarship.pitt.edu/id/eprint/34342 |
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