Multidimensional steric effect for the XeF* (B, C) formation in the oriented Xe* (3P2, MJ = 2) + oriented NF3 reaction

Literature Information

Publication Date 2010-10-21
DOI 10.1039/C0CP00648C
Impact Factor 3.676
Authors

H. Ohoyama


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Abstract

Steric effect for the XeF* (B, C) formations in the oriented Xe* (3P2, MJ = 2) + oriented NF3 reaction has been observed as a function of the mutual configuration between the molecular orientation and the atomic orientation in the collision frame. Molecular steric opacity function has been determined as a function of the atomic orbital alignment (LZ′) in the collision frame. The larger reactivity at the side with the smaller reactivity at the molecular axis direction is observed for the XeF* (B, C) channels at each atomic orbital alignment. A good correlation between the shape of the molecular steric opacity function and the molecular geometry of NF3 is recognized. The LZ′ selectivity in the molecular steric opacity function is different between the XeF* (B, C) channels; in the sideways direction, the XeF* (B) channel is favorable at LZ′ = 0, while the XeF* (C) channel is favorable at |LZ′| = 1. In contrast, at the molecular axis direction, the XeF* (B) channel is favorable at |LZ′| = 1, while the XeF* (C) channel is favorable at LZ′ = 0. We propose the collision-induced harpoon mechanism for the XeF* (B, C) formation in the Xe* (3P2) + NF3 reaction.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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