@article { WOS:000734454500001,
title = {High-Resolution Imaging of C plus He Collisions using Zeeman Deceleration and Vacuum-Ultraviolet Detection},
journal = {J. Phys. Chem. Lett.},
year = {Submitted},
publisher = {AMER CHEMICAL SOC},
type = {Article; Early Access},
abstract = {High-resolution measurements of angular scattering distributions provide a sensitive test for theoretical descriptions of collision processes. Crossed beam experiments employing a decelerator and velocity map imaging have proven successful to probe collision cross sections with extraordinary resolution. However, a prerequisite to exploit these possibilities is the availability of a near-threshold state-selective ionization scheme to detect the collision products, which for many species is either absent or inefficient. We present the first implementation of recoil-free vacuum ultraviolet (VUV) based detection in scattering experiments involving a decelerator and velocity map imaging. This allowed for high-resolution measurements of state-resolved angular scattering distributions for inelastic collisions between Zeeman-decelerated carbon C(P-3(1)) atoms and helium atoms. We fully resolved diffraction oscillations in the angular distributions, which showed excellent agreement with the distributions predicted by quantum scattering calculations. Our approach offers exciting prospects to investigate a large range of scattering processes with unprecedented precision.},
issn = {1948-7185},
doi = {10.1021/acs.jpclett.1c03643},
author = {Plomp, Vikram and Wang, Xu-Dong and Lique, Francois and Klos, Jacek and Onvlee, Jolijn and van de Meerakker, Sebastiaan Y. T.}
}
@article { WOS:000662095800008,
title = {Collisional excitation of C+(P-2) spin-orbit levels by molecular hydrogen revisited},
journal = {Mon. Not. Roy. Astron. Soc.},
volume = {501},
number = {1},
year = {2021},
month = {FEB},
pages = {L38-L42},
publisher = {OXFORD UNIV PRESS},
type = {Article},
abstract = {Relaxation of the spin-orbit excited C+(P-2(3/2)) ion by collisions with H-2 is an important process in the interstellar medium. Previous calculations of rate coefficients for this process employed potential energies computed for only collinear and perpendicular approach of H-2 to the ion. To capture the full angular dependence of the C+-H-2 interaction, the angular variation of the potential has been obtained by quantum chemical calculations in this work. These data were used to compute rate coefficients for the de-excitation of the C+(P-2(3/2)) level in collisions with H-2 in its j = 0, 1, and 2 rotational levels. With the assumption that the para-H-2 rotational levels are in Local Thermodynamic Equilibrium (LTE), rate coefficients were then calculated for de-excitation by para- and ortho-H-2 for temperature ranging from 5 to 500 K. The rate coefficient for de-excitation by para-H-2 is ca. 10 per cent higher at temperatures near 100 K but 10 per cent lower at temperatures greater than 300 K than the previous best calculation. By contrast, the de-excitation rate coefficient for ortho-H-2 is 15 per cent higher at low temperatures but approximately equal as compared with the previous best calculation. The impact of these new rate coefficients is briefly tested in radiative transfer calculations.},
keywords = {ISM: abundances, molecular data, molecular processes},
issn = {0035-8711},
doi = {10.1093/mnrasl/slaa192},
author = {Klos, Jacek and Dagdigian, Paul J. and Lique, Francois}
}
@article {orek_no_2021,
title = {{NO}+ + {H}-2: {Potential} energy surface and bound state calculations},
journal = {Chem. Phys. Lett.},
volume = {771},
year = {2021},
note = {Place: RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS Publisher: ELSEVIER Type: Article},
abstract = {The first four-dimensional (4D) adiabatic potential energy surface (PES) for the interaction of NO+ cation with the H-2 molecule has been accurately determined using the CCSD(T)-F12a method with cc-pVTZ-F12 basis set augmented with mid-bond functions. A detailed characterization of the PES and lowest bound states of the H-2-NO+ complex have been provided. The H-2-NO+ PES exhibits a single global minimum with a well depth of 824.63 cm(-1) corresponding to off-planar structure with the H-2 molecule in a perpendicular orientation to the NO+ cation. The solution of the nuclear Schrodinger equation for the bound states gives a zero-point energy corrected dissociation energy of D-0 = 498.15 cm(-1) for para-H-2-NO+ complex, and of 541.35 cm(-1) for ortho-H-2-NO+.

},
keywords = {Bound states calculations, Potential energy surface},
issn = {0009-2614},
doi = {10.1016/j.cplett.2021.138511},
author = {Orek, Cahit and Uminski, Marcin and Klos, Jacek and Lique, Francois and Zuchowski, Piotr S. and Bulut, Niyazi}
}