title: Electronic Quenching in N((2)D) + N2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics.
abstract: The electronic quenching reaction N((2)D) + N2 → N((4)S) + N2 is studied using the trajectory surface hopping method and employing two doublet and one quartet accurate potential energy surfaces. State-specific properties are analyzed, such as the dependence of the cross section on the initial quantum state of the reactants, vibrational energy transfer, and rovibrational distribution of the product N2 molecule in thermalized conditions. It is found that rotational energy on the reactant N2 molecule is effective in promoting the reaction, whereas vibrational excitation tends to reduce the reaction probability. For initial states and collision energy thermalized in an initial bath, it is found that the products are "hotter", both vibration and rotation wise.
authors.affiliation: Departmento de Química, Centro Federal de Educacão Tecnológica de Minas Gerais, CEFET-MG, Av. Amazonas 5253, 30421-169, Belo Horizonte, Minas Gerais, Brazil.
authors.forename: B R L
authors.initials: BR
authors.lastname: Galvão
authors.affiliation: Departamento de Química-ICEx, Universidade Federal de Minas Gerais , Av. Antônio Carlos 6627, Pampulha, 31270-901, Belo Horizonte, Minas Gerais, Brazil.
authors.forename: J P
authors.initials: JP
authors.lastname: Braga
authors.affiliation: Departamento de Química-ICEx, Universidade Federal de Minas Gerais , Av. Antônio Carlos 6627, Pampulha, 31270-901, Belo Horizonte, Minas Gerais, Brazil.
authors.forename: J C
authors.initials: JC
authors.lastname: Belchior
authors.affiliation: Departamento de Química, Universidade de Coimbra , 3004-535 Coimbra, Portugal.
authors.forename: A J C
authors.initials: AJ
authors.lastname: Varandas