Theoretical Prediction of Strong Be–B and Be–Al Bonds in [FBeER 3 ] − (E = B, Al; R = H, CH 3 , Ph) Adducts: Dative or Covalent Bonding?
Abstract
Chemical bonding lies at the heart of chemists. One such bonding is dative bonding, which explains the bonding situation in many donor–acceptor complexes. Herein, we propose a pure Be → E (E = B, Al) dative bond in a FBe – → ER 3 (E = B, Al; R = H, CH 3, Ph) complex based on quantum chemical calculations. The complexes are thermodynamically stable with high bond dissociation energies. Detailed bonding analysis reveals the formation of perfect 2c–2e Be → E dative bonds. The computed results indicate the possibility of their experimental detection in a low-temperature matrix or in the gas phase.
Fields of Study & Subjects
Organoboron and organosilicon chemistry
Synthesis and characterization of novel inorganic/organometallic compounds
Inorganic Fluorides and Related Compounds
Publication details
- Journal / source
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Volume
- 65
- Issue
- 16
- Pages
- 8862–8870
- Publication date
- 10 April 2026
- Language
- EN