Home / Publications / Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT

Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT

Sergei Yulievich Ketkov 1
Sergei Yulievich Ketkov
1 G.A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhnii Novgorod, Russian Federation
10.1016/j.mencom.2024.04.002
Published 2024-04-22
Communication , Volume 34, Issue 3, 307-315
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Ketkov S. Y. Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT // Mendeleev Communications. 2024. Vol. 34. No. 3. pp. 307-315.
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Ketkov S. Y. Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT // Mendeleev Communications. 2024. Vol. 34. No. 3. pp. 307-315.
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TY - JOUR
DO - 10.1016/j.mencom.2024.04.002
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.002
TI - Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT
T2 - Mendeleev Communications
AU - Ketkov, Sergei Yulievich
PY - 2024
DA - 2024/04/22
PB - Mendeleev Communications
SP - 307-315
IS - 3
VL - 34
ER -
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@article{2024_Ketkov,
author = {Sergei Yulievich Ketkov},
title = {Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT},
journal = {Mendeleev Communications},
year = {2024},
volume = {34},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.002},
number = {3},
pages = {307--315},
doi = {10.1016/j.mencom.2024.04.002}
}
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Ketkov, Sergei Yulievich. “Electronic structures of transition metal sandwich complexes revisited by high-resolution laser spectroscopy coupled with DFT.” Mendeleev Communications, vol. 34, no. 3, Apr. 2024, pp. 307-315. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.04.002.

Keywords

DFT calculations
electronic structure
ionization energy.
laser ionization spectroscopy
sandwich compounds
transition metals

Abstract

Laser photoionization spectroscopy provides extremely high accuracy in determining ionization energies of jet-cooled bisarene complexes, metallocenes and mixed sandwich compounds as well as vibrational frequencies of free sandwich ions. Combined with DFT calculations, these experimental data give unique information on the structure- property relationships in sandwich molecules. New aspects of fine substituent effects as well as structural transformations of sandwich complexes on ionization are discussed.

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