IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v13y2022i1d10.1038_s41467-022-29806-3.html
   My bibliography  Save this article

The stability of covalent dative bond significantly increases with increasing solvent polarity

Author

Listed:
  • Rabindranath Lo

    (Czech Academy of Sciences
    Czech Advanced Technology and Research Institute, Palacký University Olomouc)

  • Debashree Manna

    (Czech Academy of Sciences
    Maulana Abul Kalam Azad University of Technology, West Bengal (formerly known as West Bengal University of Technology) Simhat)

  • Maximilián Lamanec

    (Czech Academy of Sciences
    Palacký University Olomouc)

  • Martin Dračínský

    (Czech Academy of Sciences)

  • Petr Bouř

    (Czech Academy of Sciences)

  • Tao Wu

    (Czech Academy of Sciences)

  • Guillaume Bastien

    (Czech Academy of Sciences)

  • Jiří Kaleta

    (Czech Academy of Sciences)

  • Vijay Madhav Miriyala

    (Czech Academy of Sciences
    Czech Advanced Technology and Research Institute, Palacký University Olomouc)

  • Vladimír Špirko

    (Czech Academy of Sciences)

  • Anna Mašínová

    (Czech Academy of Sciences)

  • Dana Nachtigallová

    (Czech Academy of Sciences
    VŠB-Technical University of Ostrava)

  • Pavel Hobza

    (Czech Academy of Sciences
    VŠB-Technical University of Ostrava)

Abstract

It is generally expected that a solvent has only marginal effect on the stability of a covalent bond. In this work, we present a combined computational and experimental study showing a surprising stabilization of the covalent/dative bond in Me3NBH3 complex with increasing solvent polarity. The results show that for a given complex, its stability correlates with the strength of the bond. Notably, the trends in calculated changes of binding (free) energies, observed with increasing solvent polarity, match the differences in the solvation energies (ΔEsolv) of the complex and isolated fragments. Furthermore, the studies performed on the set of the dative complexes, with different atoms involved in the bond, show a linear correlation between the changes of binding free energies and ΔEsolv. The observed data indicate that the ionic part of the combined ionic-covalent character of the bond is responsible for the stabilizing effects of solvents.

Suggested Citation

  • Rabindranath Lo & Debashree Manna & Maximilián Lamanec & Martin Dračínský & Petr Bouř & Tao Wu & Guillaume Bastien & Jiří Kaleta & Vijay Madhav Miriyala & Vladimír Špirko & Anna Mašínová & Dana Nachti, 2022. "The stability of covalent dative bond significantly increases with increasing solvent polarity," Nature Communications, Nature, vol. 13(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-29806-3
    DOI: 10.1038/s41467-022-29806-3
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-022-29806-3
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-022-29806-3?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-29806-3. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.