Cyanogen di-N-oxide (ONCCNO): Gas phase generation and a HeI photoelectron, photoionization mass spectroscopy, midinfrared, and Ab initio study

T. Pasinszki, Nicholas P C Westwood

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37 Citations (Scopus)

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
Publication statusPublished - Aug 16 1995

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Photoionization
Photoelectrons
Oxides
Mass Spectrometry
Spectrum Analysis
Gases
Spectroscopy
Molecules
Infrared spectroscopy
Pyrolysis
cyanogen

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

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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.",
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T2 - Gas phase generation and a HeI photoelectron, photoionization mass spectroscopy, midinfrared, and Ab initio study

AU - Pasinszki, T.

AU - Westwood, Nicholas P C

PY - 1995/8/16

Y1 - 1995/8/16

N2 - 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.

AB - 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.

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