Synthesis, spectroscopy and structure of diiodofuroxan

T. Pasinszki, Melinda Krebsz, Gábor Vass

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Diiodofuroxan (3,4-diiodo-1,2,5-oxadiazole 2-oxide) has been investigated for the first time in the gas phase by UV photoelectron spectroscopy, and in the solid phase by mid-infrared and Raman spectroscopy. The individual spectroscopies provide a detailed investigation into the vibrational and electronic character of the molecule, and are supported by quantum-chemical calculations. The molecule is confirmed by calculations at the B3LYP and CCSD(T) levels as a planar five-membered ring with a strong exocyclic and a relatively weak endocyclic N-O bond. Diiodofuroxan, upon thermolysis, does not cleave to the ICNO monomer, but leads to the formation of ONCCNO and iodine.

Original languageEnglish
Pages (from-to)194-199
Number of pages6
JournalChemical Physics Letters
Volume487
Issue number4-6
DOIs
Publication statusPublished - Mar 5 2010

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Spectroscopy
Thermolysis
Molecules
synthesis
Photoelectron spectroscopy
Ultraviolet spectroscopy
Iodine
spectroscopy
iodine
Raman spectroscopy
solid phases
molecules
Infrared spectroscopy
monomers
Monomers
Gases
infrared spectroscopy
photoelectron spectroscopy
vapor phases
oxides

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Synthesis, spectroscopy and structure of diiodofuroxan. / Pasinszki, T.; Krebsz, Melinda; Vass, Gábor.

In: Chemical Physics Letters, Vol. 487, No. 4-6, 05.03.2010, p. 194-199.

Research output: Contribution to journalArticle

Pasinszki, T. ; Krebsz, Melinda ; Vass, Gábor. / Synthesis, spectroscopy and structure of diiodofuroxan. In: Chemical Physics Letters. 2010 ; Vol. 487, No. 4-6. pp. 194-199.
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