Author: Kay Ansorg

0000000001304705

AUTHOR

Kay Ansorg

Vinyl sulfone building blocks in covalently reversible reactions with thiols

In the present study we use quantum-chemical calculations to investigate how the reactivity of vinyl sulfone-based compounds can be modified from an irreversible to a reversible reaction with thiols. Based on the predictions from theory, an array of nine different vinyl sulfones with systematically varying substitution pattern was synthesized and their crystal structures were determined. Subsequent Hirshfeld surface analyses employing the principle of electrostatic complementarity aid the understanding of the crystal packing of the synthesized compounds. Reactivity studies against the nucleophile 2-phenylethanethiol mirror the properties predicted by the quantum-chemical computations in sol…

research product

CCDC 897063: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897056: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897057: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897062: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897061: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897060: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897059: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

CCDC 897058: Experimental Crystal Structure Determination

Related Article: Thomas H. Schneider, Max Rieger, Kay Ansorg, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Simon Grabowsky|2015|New J.Chem.|39|5841|doi:10.1039/C5NJ00368G

research product

PEPhysical Sciences and Engineering
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