Stereodynamics study of reactions N(2D)+HD→NH+D and ND+H

doi:10.1088/1674-1056/19/4/043401

Abstract The product polarizations of the title reactions are investigated by employing the quasi-classical trajectory (QCT) method. The four generalized polarization-dependent differential cross-sections (PDDCSs) $(2\pi/\sigma)({\rm d}\sigma_{00}/{\rm d}\omega_t)$, $(2\pi/\sigma)({\rm d}\sigma_{20}/{\rm d}\omega_t)$, $(2\pi/\sigma)({\rm d}\sigma_{22+}/{\rm d}\omega_t)$, and $(2\pi/\sigma)({\rm d}\sigma_{21-}/{\rm d}\omega_t)$ are calculated in the centre-of-mass frame. The distribution of the angle between $k$ and $j^\prime$, $P(\theta _r)$, the distribution of the dihedral angle denoting $k-k^\prime-j^\prime $ correlation, $P(\phi _r)$, as well as the angular distribution of product rotational vectors in the form of polar plots $P(\theta _r ,\phi _r )$ are calculated. The isotope effect is also revealed and primarily attributed to the difference in mass factor between the two title reactions.

Keywords: stereodynamics quasi-classical trajectory method vector correlation polarization-dependent differential cross-section isotope effect

Received: 11 August 2009
Revised: 28 September 2009
Accepted manuscript online:

PACS:	82.30.Cf	(Atom and radical reactions; chain reactions; molecule-molecule reactions)
	82.20.Tr	(Kinetic isotope effects including muonium)
	82.20.Fd	(Collision theories; trajectory models)
	82.20.Hf	(Product distribution)

Fund: Project supported by Young Funding of Jining University, China (Grant No.~2009QNKJ02).

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Yue Xian-Fang(岳现房), Cheng Jie(程杰), Li Hong(李宏), Zhang Yong-Qiang(张永强), and Emilia L. Wu Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H 2010 Chin. Phys. B 19 043401

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Stereodynamics study of reactions N(2D)+HD→NH+D and ND+H

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Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H