Rotationally resolved state-to-state photoionization and the photoelectron study of vanadium monocarbide and its cations (VC/VC(+))

Physical Chemistry Chemical Physics : PCCP
Yih-Chung ChangC Y Ng

Abstract

By employing two-color visible (VIS)-ultraviolet (UV) laser photoionization and pulsed field ionization-photoelectron (PFI-PE) techniques, we have obtained highly rotationally resolved photoelectron spectra for vanadium monocarbide cations (VC(+)). The state-to-state VIS-UV-PFI-PE spectra thus obtained allow unambiguous assignments for the photoionization rotational transitions, resulting in a highly precise value for the adiabatic ionization energy (IE) of vanadium monocarbide (VC), IE(VC) = 57512.0 ± 0.8 cm(-1) (7.13058 ± 0.00010 eV), which is defined as the energy of the VC(+)(X(3)Δ1; v(+) = 0; J(+) = 1) ← VC(X(2)Δ3/2; v'' = 0; J'' = 3/2) photoionization transition. The spectroscopic constants for VC(+)(X(3)Δ1) determined in the present study include the harmonic vibrational frequency ωe(+) = 896.4 ± 0.8 cm(-1), the anharmonicity constant ωe(+)xe(+) = 5.7 ± 0.8 cm(-1), the rotational constants Be(+) = 0.6338 ± 0.0025 cm(-1) and αe(+) = 0.0033 ± 0.0007 cm(-1), the equilibrium bond length re(+) = 1.6549 ± 0.0003 Å, and the spin-orbit coupling constant A = 75.2 ± 0.8 cm(-1) for VC(+)(X(3)Δ1,2,3). These highly precise energetic and spectroscopic data are used to benchmark state-of-the-art CCSDTQ/CBS calculations. In general, goo...Continue Reading

References

Jun 1, 1989·Physical Review A: General Physics·G Jansen, B A Hess
Jul 23, 2005·The Journal of Chemical Physics·Apostolos KalemosAristides Mavridis
Jan 10, 2012·The Journal of Chemical Physics·Kai-Chung Lau, C Y Ng
Jun 29, 2013·The Journal of Physical Chemistry. a·Olha Krechkivska, Michael D Morse
Jul 17, 2014·The Journal of Chemical Physics·Zhihong LuoC Y Ng

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Citations

Feb 9, 2016·Nano Letters·Jeongmin ParkDongseok Suh
Sep 25, 2015·The Journal of Physical Chemistry. a·Zhihong LuoC Y Ng
Sep 17, 2015·The Journal of Chemical Physics·Eric L Johnson, Michael D Morse
Jun 24, 2016·The Journal of Chemical Physics·Eric L JohnsonMichael D Morse
Dec 20, 2016·The Journal of Physical Chemistry. B·Shu-Ching OuB Montgomery Pettitt
Aug 3, 2018·The Journal of Chemical Physics·Andrew SevyMichael D Morse
Sep 3, 2017·The Journal of Chemical Physics·Andrew SevyMichael D Morse
Jan 1, 2019·Accounts of Chemical Research·Michael D Morse

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