Termolecular collisions between benzene and Ar

Autor:	V. Bernshtein, I. Oref
Rok vydání:	2003
Předmět:	Argon Internal energy Energy transfer Anharmonicity General Physics and Astronomy chemistry.chemical_element chemistry.chemical_compound chemistry Intramolecular force Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Nuclear Experiment Benzene
Zdroj:	The Journal of Chemical Physics. 118:10611-10622
ISSN:	1089-7690 0021-9606
Popis:	Termolecular collisions between a benzene molecule and two Ar atoms were studied by quasiclassical trajectory calculations. The calculations show that termolecular collisions form termolecular complexes and occur by three mechanisms: (a) the Chaperon mechanism, in which the first Ar in is the first Ar out of the termolecular complex, is the dominant one at high pressures. Two-thirds of all termolecular collisions go by this mechanism. (b) The energy transfer mechanism, in which the first Ar in is the last Ar out of the termolecular complex, comprises about a quarter of all termolecular collisions at high pressures. (c) The concerted channel, in which both argon atoms depart from the benzene simultaneously and does not lead to products in reactive systems, comprises about 10% of all termolecular collisions. Energy transfer quantities and collision complex lifetimes in binary and termolecular collisions are evaluated and their dependence on inter- and intramolecular harmonic and anharmonic potentials, temperature, pressure, and internal energy of the benzene molecule are reported.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0180647580b0e06be78ddd4a05b4c400 https://doi.org/10.1063/1.1573185 Zobrazit plný text záznamu