State-to-state resolved differential cross sections for rotationally inelastic scattering of ND3 with He

文献信息

发布日期 2013-09-25
DOI 10.1039/C3CP53550A
影响因子 3.676
作者

Ondřej Tkáč, Ashim Kumar Saha, Jolijn Onvlee, Chung-Hsin Yang, Gautam Sarma, Chandan Kumar Bishwakarma, Sebastiaan Y. T. van de Meerakker, Ad van der Avoird, David H. Parker, Andrew J. Orr-Ewing


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摘要

State-to-state differential cross sections are reported for rotationally inelastic scattering of fully state-selected ND3 (jk± = 11−) with He. Experimental measurements are compared with full close-coupling quantum-mechanical scattering calculations that used an ab initio potential energy surface. Results are presented for final states up to j′k′ ± = 77− at a mean collision energy of 430 cm−1. For selected final quantum states, the effect of collision energy on the differential cross sections is also explored in the range 230–720 cm−1. For the experimental studies, a hexapole electrostatic lens was used for the jk± state-selection of ND3 molecules in their electronic and vibrational ground states in a molecular beam. This state-selected molecular beam was then crossed with a beam of He atoms. The velocities of inelastically scattered ND3 molecules in single j′k′ ± states were obtained by velocity map imaging, and converted to differential cross sections in the centre-of-mass frame by density-to-flux transformation. The close-coupling calculations reproduce well the measured angular distributions. For small changes in the rotational angular momentum quantum number (j), the ND3 is predominantly forward scattered, but the scattering shifts to the sideways and backward directions as Δj increases. For scattering into a given j′k′ ± state, cross-sections for collisions that conserve the ± symmetry associated with the ND3 inversion vibration are larger and generally more forward scattered than the corresponding symmetry-changing processes.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 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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