Chemical bonding misnomer in AeF<sup>−</sup> (Ae = Be–Ca) anions

Guha, Ankur K.

doi:10.1039/d4cp01778a

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d4cp01778a

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Chemical bonding misnomer in AeF⁻ (Ae = Be–Ca) anions

Ankur K. Guha

Abstract: Chemical bonding is the fundamental concept in chemistry and multiple bonding holds a special position. Recent quantum chemical calculations predicted the presence of triple dative bonds in BeF- and MgF...

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B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond

Borah,

Deka,

Guha

2024

J. Phys. Chem. A

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Chemical bonding has attracted chemists since its inception. Dative bonding between a donor and acceptor moiety is also an important phenomenon, which results in stabilization of many chemical compounds. Herein, we show that an extremely strong dative bond is possible between a fluoride ion and a beryllium center which is a part of a half-sandwich complex, B3H3Be. Quantum chemical calculations have shown the possibility of formation of a half-sandwich complex of Be with a B3H3 2– ring. Calculations reveal that the complex is stable toward dissociation. The half-sandwich complex features a very low-lying lowest unoccupied molecular orbital (LUMO) concentrated on the Be atom, thereby indicating a Lewis acidic character of the complex. This lower-lying LUMO at the beryllium center is responsible for forming an extremely strong dative bond with the fluoride donor.

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B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond

Borah,

Deka,

Guha

2024

J. Phys. Chem. A

View full text Add to dashboard Cite

show abstract

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Chemical bonding misnomer in AeF⁻ (Ae = Be–Ca) anions

Abstract: Chemical bonding is the fundamental concept in chemistry and multiple bonding holds a special position. Recent quantum chemical calculations predicted the presence of triple dative bonds in BeF- and MgF...

Cited by 1 publication

References 28 publications

B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond

B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond

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Chemical bonding misnomer in AeF− (Ae = Be–Ca) anions

Abstract: Chemical bonding is the fundamental concept in chemistry and multiple bonding holds a special position. Recent quantum chemical calculations predicted the presence of triple dative bonds in BeF- and MgF...

Cited by 1 publication

References 28 publications

B3H3Be ← F–: A Case of Extremely Strong Dative Bond

B3H3Be ← F–: A Case of Extremely Strong Dative Bond

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Product

Resources

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Chemical bonding misnomer in AeF⁻ (Ae = Be–Ca) anions

B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond

B₃H₃Be ← F^–: A Case of Extremely Strong Dative Bond