Ab initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE-Reference-Cited by-同舟云学术

Ab initio modelling of the anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane corrected for intramolecular BSSE

Published:2015 Issue:28 Volume:17 Page:18501-18513
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sladek Vladimir¹²³⁴,Holka Filip⁵⁶⁷⁴,Tvaroška Igor¹²³⁴

Affiliation:

1. Institute of Chemistry

2. Slovak Academy of Sciences

3. SK-845 38 Bratislava

4. Slovakia

5. Faculty of Materials Science and Technology in Trnava

6. Slovak University of Technology in Bratislava

7. SK-917 24 Trnava

Abstract

Oxygen substitution in 2-methoxytetrahydropyran by sulphur in 2-methoxythiane approximately doubles the anomeric effect, which slows down enzymatic processing of 2-methoxythiane.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02191J

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3. The different nature of the anomeric effect for methoxy and chlorine substituents

4. The anomeric effect revisited. A possible role of the CH/n hydrogen bond

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