Combining the chemistries of silylene and sulfur-nitrogen compounds-SiS2N2 and related systems

Julianna Olah, Tamas Veszpremi, J. Derek Woollins, Frank Blockhuys

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

A new class of inorganic systems is introduced in which a silylene fragment is combined with a sulfur-nitrogen fragment. The properties of the resulting "sulfur-nitrogen silylenes" have been studied using quantum chemical calculations, focussing on isodesmic reaction energies, dimerization, electro-and nucleophilicity, and the singlet-triplet energy gap-a number of as yet unsuccessful attempts to prepare the compounds is also reported. These new systems are found to be stable silylenes in which the sulfur-nitrogen fragment stabilizes both the singlet and the triplet states through extensive electron delocalization.

Original languageEnglish
Pages (from-to)3256-3263
Number of pages8
JournalDalton Transactions
Volume39
Issue number13
DOIs
Publication statusPublished - 2010

Keywords

  • SINGLET-TRIPLET GAPS
  • SOFT ACID-BASE
  • STABLE SILYLENES
  • ROESKYS KETONE
  • AB-INITIO
  • ELECTRONIC-STRUCTURE
  • MOLECULAR-STRUCTURE
  • FLUORINATED 1,3-LAMBDA(4)DELTA(2),2,4-BENZODITHIADIAZINES
  • PHOTOELECTRON-SPECTRA
  • BASIS-SETS

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