Author(s):   Madden, L.K.; Moskaleva, L.V.; Kristyan, S.; Lin, M.C.
Title:   Ab initio MO study of the unimolecular decomposition of the phenyl radical
Journal:   J. Phys. Chem. A
Volume:   101
Page(s):   6790 - 6797
Year:   1997
Reference type:   Journal article
Squib:   1997MAD/MOS6790-6797

Associated entries:

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Rate expression: k(T) = A (T/298 K)ⁿ e^-Ea/RT
Rate expression units:
First order: s^-1
Second order: cm³/molecule s
Third order: cm⁶/molecule² s
R = 8.314472 J / mole K

Energy Units	J	Molecular Units	Molecule
Pressure Units	bar	Temperature Units	K
Base Volume Unit	cm	Reference Temperature	298.0
Evaluation Temperature	298.0

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Squib	Reaction	Temp [K]	A	n	Ea [J/mole]	Order
1997MAD/MOS6790-6797	C₂H₂ + HCCCHCH· → Benzyne + H·	700 - 2500	1.21E-06	-5.97	9.89E04	2
1997MAD/MOS6790-6797	C₂H₂ + HCCCHCH· → Phenyl	700 - 2500	347	-14.70	1.30E05	2
1997MAD/MOS6790-6797	Phenyl → Other Products + H·	700 - 2500	7.66E33	-16.00	5.35E05	1
1997MAD/MOS6790-6797	Phenyl → C₂H₂ + HCCCHCH·	700 - 2500	3.32E33	-16.60	5.67E05	1
1997MAD/MOS6790-6797	Phenyl → Benzyne + H·	700 - 2500	6.34E22	-7.72	3.86E05	1

Search returned 5 records.