Tetrel bonding in the realm of transition states favors silicon over Carbon: Role of water as a tetrel spectator in the formation of silaformamide

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2 Citations (Scopus)

Abstract

Noncovalent Tetrel bonding is studied in the past mainly as a cohesive force for synthons, and less for transitions states (TS). Same is also true for non-covalently bonded spectator effects. This work brings the Tetrel bonding through spectator water, into the terrain of TS. As a result, large stabilizations with a negative barrier (CCSD(T)/aug-cc-pVTZ energies) was achieved for the silaformamide formation. Such an interaction was found to be challenging the dominances of carbon-based over silicon-based prebiotic chemistries, by not favouring the fomamide formation. This observation of synchronization of tetrel bonding and spectator influence, with TS stabilization, may find applications in various other areas of researches. Also, possible formation of prebiotic silaformamide, shown in this work, many not be regarded as an ultimate supportive viewpoint for the parallel thoughts on unconventional silicon-based life, but rather indicates for many possibilities for silicon based chemistries.

Original languageEnglish
Article number113456
JournalComputational and Theoretical Chemistry
Volume1205
DOIs
Publication statusPublished - Nov 2021

Keywords

  • Computational Chemistry
  • Silaformamide
  • Silicon
  • Spectator
  • Tetrel Bonding

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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