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A Theoretical Investigation of Zn-Zn and Be-Be One Electron Bond
  • Kangkan Sarma,
  • Amlan Kalita,
  • Ankur Guha
Kangkan Sarma
Cotton University
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Amlan Kalita
Cotton University
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Ankur Guha
Cotton University
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Abstract

Attachment of one electron to 1,2-diBeX-benzene and 1,2-diZnX-benzene derivatives leads to the formation of stronger Be-Be and Zn-Zn interaction. This is reflected in the dramatic shortening of the Be-Be and Zn-Zn distance. The formation of these 2-center-1-electron bonds have also been confirmed by topological survey of electron density using quantum theory of atoms in molecules and electron localization function. The formation of these bonds is expected to render stability to these radical anions. These radical anions are stable towards electron detachment and computed bond dissociation energy values are also significant.
26 Feb 2022Submitted to International Journal of Quantum Chemistry
28 Feb 2022Submission Checks Completed
28 Feb 2022Assigned to Editor
02 Mar 2022Reviewer(s) Assigned
06 Jun 2022Review(s) Completed, Editorial Evaluation Pending
06 Jun 2022Editorial Decision: Revise Major
09 Jun 20221st Revision Received
13 Jun 2022Submission Checks Completed
13 Jun 2022Assigned to Editor
13 Jun 2022Reviewer(s) Assigned