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Aromatic B3 Ring Stabilized Group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)
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  • Ritam Borah,
  • Amlan Kalita,
  • Farnaz Yashmin,
  • Kangkan Sarma,
  • Rinu Deka,
  • Dimpul Konwar,
  • Ankur Guha
Ritam Borah
Cotton University
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Amlan Kalita
Cotton University
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Farnaz Yashmin
Cotton University
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Kangkan Sarma
Cotton University
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Rinu Deka
Cotton University
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Dimpul Konwar
Gachon University
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Ankur Guha
Cotton University
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Abstract

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. Increase in aromaticity of the parent B3 ring upon complexation is observed which is expected to provide extra stability to the complexes.

Peer review status:UNDER REVIEW

10 Dec 2021Submitted to International Journal of Quantum Chemistry
11 Dec 2021Assigned to Editor
11 Dec 2021Submission Checks Completed
15 Dec 2021Reviewer(s) Assigned