Chemical laser based on polyatomic chemical reaction dynamics

  1. Sierra Murillo, Jose Daniel 1
  1. 1 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

Actas:
XXIII International Symposium on High Power Laser Systems and Applications

ISSN: 0277-786X

Año de publicación: 2022

Volumen: 12347

Congreso: XXIII International Symposium on High Power Laser Systems and Applications,13–16 June 2022, Prague, Czech Republic

Tipo: Aportación congreso

DOI: 10.1117/12.2653041 GOOGLE SCHOLAR

Resumen

Large samples have been employed to obtain energy state distributions in products (translational, vibrational and rotational) for the OH (vOH = 0; jOH = 2) + D2 (vD2 = 0; jD2) gas phase reaction initial conditions. It uses Quasi-Classical Trajectory calculations and the Gaussian Binning methodology on Wu-Schatz-Lendvay-Fang-Harding potential energy surface. As the author has already observed in a previous works, depending on a first selection, Vibrational-Gaussian Binning, a second selection, Rotational-Gaussian Binning, it induces a variable preference for odd or even values in the Total Angular Momentum of the HOD product molecule. The increase of the rotational level, D2 (v = 0; j), induces a minor displacement of the distributions, P(J'), towards higher values of J' than when it increases the vibrational level, D2 (v ; j = 2). Nevertheless, causes more anisotropy in those distributions, P(J').