JOURNAL ARTICLE

Nature of Chemical Bond in BeF− Anion: A Charge Shift Bond From Electron Density Signatures.

  • Published In: ChemistrySelect, 2023, v. 8, n. 29. P. 1 1 of 3

  • Database: Academic Search Ultimate 2 of 3

  • Authored By: Kalita, Amlan J.; Guha, Ankur K. 3 of 3

Abstract

The nature of chemical bonding in BeF− anion is investigated quantum mechanically. Topological analyses within the realm of quantum theory of atoms in molecules (QTAIM) and electron localization function (ELF) clearly establish the bonds as having "Charge shift" character. The laplacian of electron density is significantly positive and the basin population is lower with a large covariance, indicating significant charge shift character. Detailed analysis reveals no multiple bonding character in this anion and its heavier analogues. [ABSTRACT FROM AUTHOR]

Additional Information

  • Source:ChemistrySelect. 2023/08, Vol. 8, Issue 29, p1
  • Document Type:Article
  • Subject Area:Chemistry
  • Publication Date:2023
  • ISSN:2365-6549
  • DOI:10.1002/slct.202302236
  • Accession Number:169783741
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