Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)

Quantum chemical calculations predict a strong Group 2 (Be, Mg, Ca) metal-metal interaction in the binuclear sandwich type complexes. [Display omitted] Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear...

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Published in:Polyhedron 2022-03, Vol.215, p.115681, Article 115681
Main Authors: Borah, Ritam R., Kalita, Amlan J., Yashmin, Farnaz, Sarmah, Kangkan, Deka, Rinu P., Konwar, Dimpul, Guha, Ankur K.
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Aromaticity
DFT
sandwich
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creator Borah, Ritam R.
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description Quantum chemical calculations predict a strong Group 2 (Be, Mg, Ca) metal-metal interaction in the binuclear sandwich type complexes. [Display omitted] Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear sandwich type complex formation. Calculations indicate single reference character of the studied systems. The complexes have been found to be stable towards dissociation into different fragments. Thermodynamic consideration also indicates the favourability of their formation.
doi_str_mv 10.1016/j.poly.2022.115681
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title Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)
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