TY - JOUR

T1 - The Valence Band Structure of the [Ni(Salen)] Complex: An Ultraviolet, Soft X-ray and Resonant Photoemission Spectroscopy Study

AU - Korusenko, Petr M.

AU - Koroleva, Alexandra V.

AU - Vereshchagin, Anatoliy A.

AU - Sivkov, Danil V.

AU - Petrova, Olga V.

AU - Levin, Oleg V.

AU - Vinogradov, Alexander S.

N1 - Publisher Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

PY - 2022/6/1

Y1 - 2022/6/1

N2 - The valence band photoemission (VB PE) spectra of the [Ni(Salen)] molecular complex were measured by ultraviolet, soft X-ray and resonant photoemission (ResPE) using photons with energies ranging from 21.2 eV to 860 eV. It was found that the Ni 3d atomic orbitals’ (AOs) contributions are most significant for molecular orbitals (MOs), which are responsible for the low-energy PE band at a binding energy of 3.8 eV in the VB PE spectra. In turn, the PE bands in the binding energies range of 8–16 eV are due to the photoionization of the MOs of the [Ni(Salen)] complex with dominant contributions from C 2p AOs. A detailed consideration was made for the ResPE spectra obtained using photons with absorption resonance energies in the Ni 2p3/2, N 1s, and O 1s Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectra. A strong increase in the intensity of the PE band ab was found when using photons with an energy 854.4 eV in the Ni 2p3/2 NEXAFS spectrum. This finding is due to the high probability of the participator-Auger decay of the Ni 2p3/2−13d9 excitation and confirms the relationship between the PE band ab with the Ni 3d-derived MOs.

AB - The valence band photoemission (VB PE) spectra of the [Ni(Salen)] molecular complex were measured by ultraviolet, soft X-ray and resonant photoemission (ResPE) using photons with energies ranging from 21.2 eV to 860 eV. It was found that the Ni 3d atomic orbitals’ (AOs) contributions are most significant for molecular orbitals (MOs), which are responsible for the low-energy PE band at a binding energy of 3.8 eV in the VB PE spectra. In turn, the PE bands in the binding energies range of 8–16 eV are due to the photoionization of the MOs of the [Ni(Salen)] complex with dominant contributions from C 2p AOs. A detailed consideration was made for the ResPE spectra obtained using photons with absorption resonance energies in the Ni 2p3/2, N 1s, and O 1s Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectra. A strong increase in the intensity of the PE band ab was found when using photons with an energy 854.4 eV in the Ni 2p3/2 NEXAFS spectrum. This finding is due to the high probability of the participator-Auger decay of the Ni 2p3/2−13d9 excitation and confirms the relationship between the PE band ab with the Ni 3d-derived MOs.

KW - [Ni(Salen)] complex (NiO2N2C16H14)

KW - NiN2O2 coordination center

KW - valence band photoemission (VB PE) spectra

KW - soft X-ray and ultraviolet photoemission spectroscopy

KW - X-ray resonant photoemission spectroscopy (ResPES)

KW - participator and spectator Auger decay processes

KW - [Ni(Salen)] complex (NiO2N2C16H14)

KW - NiN2O2 coordination center

KW - valence band photoemission (VB PE) spectra

KW - soft X-ray and ultraviolet photoemission spectroscopy

KW - X-ray resonant photoemission spectroscopy (ResPES)

KW - participator and spectator Auger decay processes

KW - valence band pho-toemission (VB PE) spectra

KW - [Ni(Salen)] complex (NiO N C H )

KW - NiN O coordination center

UR - http://www.scopus.com/inward/record.url?scp=85131052572&partnerID=8YFLogxK

U2 - 10.3390/ijms23116207

DO - 10.3390/ijms23116207

M3 - Article

VL - 23

JO - International Journal of Molecular Sciences

JF - International Journal of Molecular Sciences

SN - 1422-0067

IS - 11

M1 - 6207

ER -