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Speciation of C{sub 6}H{sub 6} isomers by GC-matrix isolation FTIR-MS.

Journal Article · · J. Phys. Chem. A
DOI:https://doi.org/10.1021/jp037311r· OSTI ID:961501

Isomeric C{sub 6}H{sub 6} species produced by high-pressure shock tube pyrolysis of 1,5-hexadiyne have been investigated by gas chromatography-matrix isolation FTIR spectroscopy-mass spectrometry. In addition to benzene (stable end product) and 1,5-hexadiyne (starting material), six isomeric C{sub 6}H{sub 6} species have been identified on the basis of spectroscopic characteristics. The results are consistent with theoretical predictions of stable species that will be formed in the pyrolysis of 1,5-hexadiyne and key species have been positively identified for the first time.

Research Organization:
Argonne National Laboratory (ANL)
Sponsoring Organization:
SC; NSF
DOE Contract Number:
AC02-06CH11357
OSTI ID:
961501
Report Number(s):
ANL/CHM/JA-48436
Journal Information:
J. Phys. Chem. A, Journal Name: J. Phys. Chem. A Journal Issue: 16 ; 2004 Vol. 108; ISSN 1089-5639; ISSN JPCAFH
Country of Publication:
United States
Language:
ENGLISH