Can Dative Bond Between two Anions Possible?

Formation of a genuine chemical bond between two similar charged fragments is beyond expectation. Any such interaction generally lies in the realm of non-covalent interaction. Herein, formation of a strong dative covalent bond between two anionic fragments is reported for the first time. Calculation...

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Bibliographic Details
Published inChemphyschem Vol. 24; no. 19; p. e202300403
Main Author Guha, Ankur Kanti
Format Journal Article
LanguageEnglish
Published Germany Wiley Subscription Services, Inc 04.10.2023
Subjects
Chemical bonds
Covalence
Covalent bonds
Fragments
Mathematical analysis
ab initio
Covalent
dative bond
Aqueous
Anion-anion
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Summary:Formation of a genuine chemical bond between two similar charged fragments is beyond expectation. Any such interaction generally lies in the realm of non-covalent interaction. Herein, formation of a strong dative covalent bond between two anionic fragments is reported for the first time. Calculation using ab initio coupled cluster theory reveals the formation of unprecedented strong H3Be- ← X- (X- = CH3-, CN-, OH-, F-) dative covalent bond. The calculated bond dissociation energies in polar solvents are significant which indicates the possibility of their experimental realization.
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ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202300403