Photoelectron velocity-map imaging spectroscopy of nickel carbide: examination of the low-lying electronic states

Liu, Zhiling; Lin, Qingyang; Li, Ya; He, Jing; Jiao, Jingmei; Liu, Lianxia; Yan, Yonghong; Wu, Hai-Shun; Zhang, Fuqiang; Jia, Jianfeng; Xie, Hua

doi:10.1039/d2nj01564a

New J. Chem.

2022

DOI: 10.1039/d2nj01564a

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Photoelectron velocity-map imaging spectroscopy of nickel carbide: examination of the low-lying electronic states

Zhiling Liu,

Qingyang Lin,

Ya Li

et al.

Abstract: The photoelectron detachment of nickel carbide anion has been characterized using the photoelectron velocity-map imaging spectroscopy, allowing for a precise assignment of the electron affinity, vibrational frequencies, energy spacing and...

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Cited by 3 publications

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Characterizing metal carbide structures: Insights from photoelectron spectroscopy and density functional theory

Ali,

Farooq,

et al. 2025

Coordination Chemistry Reviews

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Characterizing metal carbide structures: Insights from photoelectron spectroscopy and density functional theory

Ali,

Farooq,

et al. 2025

Coordination Chemistry Reviews

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Analogy of C–Pt and C–O Chemical Bonding in the Diatomic CPt and CO

Liu,

Yan,

Yang

et al. 2024

J. Phys. Chem. A

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The conjugate-pair molecules of CO and CPt provide a prototype of the autogenic isolobal relationship between the O and Pt atoms that can rationalize the structure and reactivity trends of platinum carbides. Herein, the photoelectron detachment at 532 nm has been recorded for the gas-phase CPt − by using the photoelectron velocity-map imaging spectroscopy. The vibrationally resolved groundstate transition reveals a wealth of information concerning the electronic ground states of CPt 0/−1 . Although the triple bonding characters in both CPt and CO have fortified the autogenic isolobal relationship between O and Pt, further detailed bonding comparisons have revealed the subtle nuance in the triple bonding. The triple bonds of CO comprise one σ donor bond from the O atom to the C atom and two degenerate π electron-sharing bonds. In contrast, the triple bonds of CPt involve three dative bonds, including one σ donor bond from the C atom to the Pt atom and two degenerate π backdonation bonds from the Pt atom to the C atom.

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Coordination-induced bond weakening in NiC3: An experimental and theoretical investigation

Liu,

Yan,

Yang

et al. 2023

The Journal of Chemical Physics

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Mass-selected photoelectron velocity-map imaging spectroscopy in conjunction with the density functional theory calculations was employed to investigate the geometrical and chemical bonding properties of NiC3−/0. Both the photoelectron spectrum and photoelectron angular distribution were measured from the spectra, yielding useful geometrical and electronic information about NiC3−/0. The complementary theoretical calculations suggest that the linear and fan-like structures were both populated experimentally in the cluster beam. Further comparative study on the synergistic donor–acceptor interactions in both isomers revealed the side-on coordination-induced bond weakening in the fan-like isomer as compared to the linear isomer. These findings will shed light on the structure-dependent reactivity of transition metal carbides.

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Photoelectron velocity-map imaging spectroscopy of nickel carbide: examination of the low-lying electronic states

Abstract: The photoelectron detachment of nickel carbide anion has been characterized using the photoelectron velocity-map imaging spectroscopy, allowing for a precise assignment of the electron affinity, vibrational frequencies, energy spacing and...

Cited by 3 publications

References 98 publications

Characterizing metal carbide structures: Insights from photoelectron spectroscopy and density functional theory

Characterizing metal carbide structures: Insights from photoelectron spectroscopy and density functional theory

Analogy of C–Pt and C–O Chemical Bonding in the Diatomic CPt and CO

Coordination-induced bond weakening in NiC3: An experimental and theoretical investigation

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