A Comparative XPS, UV PES, NEXAFS, and DFT Study of the Electronic Structure of the Salen Ligand in the H<sub>2</sub>(Salen) Molecule and the [Ni(Salen)] Complex

A Comparative XPS, UV PES, NEXAFS, and DFT Study of the Electronic Structure of the Salen Ligand in the H<sub>2</sub>(Salen) Molecule and the [Ni(Salen)] Complex

A comparative study of the electronic structure of the salen ligand in the H<sub>2</sub>(Salen) molecule and the [Ni(Salen)] complex was performed using the experimental methods of XPS, UV PES, and NEXAFS spectroscopy along with DFT calculations. Significant chemical shifts of +1.0 eV (c...

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Bibliographic Details
Main Authors: Petr M. Korusenko, Olga V. Petrova, Anatoliy A. Vereshchagin, Konstantin P. Katin, Oleg V. Levin, Sergey V. Nekipelov, Danil V. Sivkov, Victor N. Sivkov, Alexander S. Vinogradov
Format: Article
Language:English
Published: MDPI AG 2023-06-01
Series:International Journal of Molecular Sciences
Subjects:
H<sub>2</sub>(Salen) molecule (C<sub>16</sub>H<sub>16</sub>N<sub>2</sub>O<sub>2</sub>)
[Ni(Salen)] complex (NiO<sub>2</sub>N<sub>2</sub>C<sub>16</sub>H<sub>14</sub>)
X-ray photoemission (XPS) and ultraviolet photoemission spectroscopy (UV PES)
X-ray absorption fine structure (NEXAFS) spectroscopy
density-functional theory (DFT) calculations
electronic structure
Online Access:https://www.mdpi.com/1422-0067/24/12/9868

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https://www.mdpi.com/1422-0067/24/12/9868

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