Stabilization of square planar silicon: A new building block for conjugated Si-containing systems

D. Szieberth, M. Takahashi, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

Abstract

The feasibility of square planar silicon as a building block for conjugated systems was investigated by ab initio calculations. A five-membered ring model system was used to map electronic and steric substituent effects that might help in the stabilization of the planar structure. A π push-pull arrangement around the silicon was found to prefer planarity. Aromaticity was proven to play an important role in stabilization as well. With the help of steric constraints, a new structure was proposed as a synthetic target containing square planar silicon. The kinetic stability of this structure was also investigated.

Original languageEnglish
Pages (from-to)707-712
Number of pages6
JournalJournal of Physical Chemistry A
Volume113
Issue number4
DOIs
Publication statusPublished - 2009 Jan 29

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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