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Paradigms and paradoxes: systematics in the study of the simplest sulfenic acids and sulfoxides, and a comparison between sulfur–oxygen and nitrogen–oxygen bonds

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Abstract

Some particularities in the bonding of simple sulfenic acids and their sulfoxide isomers are explored using accurate theoretical methods. Some unexpected results are described using thermochemical results on diverse nitrogen- and/or oxygen-containing functionalities such as amino, nitro, nitroso, and nitrite derivatives.

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Acknowledgements

ZS and NT acknowledge SMART@SNS Laboratory (http://smart.sns.it) for providing high-performance computer facilities. ONV gratefully acknowledges the continuous support for making this study provided by Pedeciba, CSIC (UdelaR), and ANII. JFL thanks the science reference librarians at his university (UMBC) for continued support of his scientific research.

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Authors and Affiliations

  1. Faculty of Sciences, Scuola Normale Superiore, Piazza dei Cavalieri 7, Pisa, 56126, Italy

    Zoi Salta & Nicola Tasinato

  2. Computational Chemistry and Biology Group, CCBG–DETEMA, UdelaR, Montevideo, Uruguay

    Oscar Néstor Ventura

  3. Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD, USA

    Joel Fredric Liebman

Authors
  1. Zoi Salta
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  2. Nicola Tasinato
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  3. Oscar Néstor Ventura
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  4. Joel Fredric Liebman
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Contributions

Z. S. and O. N. V., performing the calculations and final writing of the paper; N. T., supervision and critical appraisal of the paper; J. F. L., general conceptualization of the project and participation in the writing. All authors have contributed equally to writing and reviewing the manuscript.

Corresponding author

Correspondence to Joel Fredric Liebman.

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Salta, Z., Tasinato, N., Ventura, O.N. et al. Paradigms and paradoxes: systematics in the study of the simplest sulfenic acids and sulfoxides, and a comparison between sulfur–oxygen and nitrogen–oxygen bonds. Struct Chem 34, 723–727 (2023). https://doi.org/10.1007/s11224-023-02134-y

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