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Ultra-low-temperature reactions of C(³P₀) atoms with benzene molecules in helium droplets.

Authors :
Krasnokutski SA
Huisken F
Source :
The Journal of chemical physics [J Chem Phys] 2014 Dec 07; Vol. 141 (21), pp. 214306.
Publication Year :
2014

Abstract

The reaction of carbon atoms with benzene has been investigated in liquid helium droplets at T = 0.37 K. We found an addition of the carbon atom to form an initial intermediate complex followed by a ring opening and the formation of a seven-membered ring. In contrast to a previous gas phase study, the reaction is frozen after these steps and the loss of hydrogen does not occur. A calorimetric technique was applied to monitor the energy balance of the reaction. It was found that more than 267 kJ mol(-1) were released in this reaction. This estimation is in line with quantum chemical calculations of the formation energy of a seven-membered carbon ring. It is suggested that reactions of this kind could be responsible for the low abundance of small polycyclic aromatic hydrocarbon molecules in the interstellar medium. We also found the formation of weakly bonded water-carbon adducts, in which the carbon atom is linked to the oxygen atom of the water molecule with a binding energy of about 33.4 kJ mol(-1).

Details

Language :
English
ISSN :
1089-7690
Volume :
141
Issue :
21
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
25481143
Full Text :
https://doi.org/10.1063/1.4902369