Cyanogen Di-N-oxide (ONCCNO): Gas Phase Generation and a HeI Photoelectron, Photoionization Mass Spectroscopy, Midinfrared, and Ab Initio Study

Tibor Pasinszki, Nicholas P.C. Westwood

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Abstract

The cyanogen di-N-oxide molecule (ONCCNO) has been generated in high yield from in situ flow pyrolysis reactions of gaseous dichloroglyoxime or dibromofuroxan precursors and studied for the first time in the gas phase. This structurally novel transient species is characterized by HeI photoelectron, HeI/HLα photoionization mass, and mid-infrared spectroscopies. To complement the experimental aspects, an assessment of the structure and bonding of ONCCNO is obtained from ab initio calculations at the HF, MP2, MP,3 and MP4SDQ/6-31G* levels of theory. Both the calculations and the spectroscopic results suggest that the molecule has a linear or quasi-linear structure.

Original languageEnglish
Pages (from-to)8425-8430
Number of pages6
JournalJournal of the American Chemical Society
Volume117
Issue number32
DOIs
Publication statusPublished - Jan 1 1995

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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