Inter-Alkali-Metal Dative Bond in the MMN 3 - (M=Alkali Metal) Cluster

Alkali metals are generally Lewis acids. On the contrary, Lewis basic character of alkali metals forming donor - acceptor complexes is a very rare phenomenon. In this contribution, I have theoretically designed an anionic cluster MMN (M=alkali metals) on the basis of experimentally known reagent, al...

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Bibliographic Details
Published inChemphyschem Vol. 24; no. 9; p. e202200935
Main Author Kanti Guha, Ankur
Format Journal Article
LanguageEnglish
Published Germany 02.05.2023
Subjects
donor-acceptor complexes
quantum chemical calculations
s
alkalides
azides
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Summary:Alkali metals are generally Lewis acids. On the contrary, Lewis basic character of alkali metals forming donor - acceptor complexes is a very rare phenomenon. In this contribution, I have theoretically designed an anionic cluster MMN (M=alkali metals) on the basis of experimentally known reagent, alkali salt of azide ion MN , which shows unprecedented M: →M donor-acceptor interaction. To the best of author's knowledge, the characterization of such donor-acceptor interaction among alkali metals is unprecedented. Formation of the 2c-2e donor-acceptor bonds have been confirmed by quantum theory of atoms in molecules and electron localization function analyses. The calculated bond dissociation energies are significant suggesting their possible spectroscopic identification.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202200935