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Rydberg state mediated multiphoton ionization of (η7-C7H7)(η5-C5H5)Cr: DFT-supported experimental insights into the molecular and electronic structures of excited sandwich complexes

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Abstract

The resonance-enhanced multiphoton ionization (REMPI) of a mixed sandwich complex has been achieved for the first time when exciting (η7-C7H7)(η5-C5H5)Cr via the Rydberg 4pz state. The REMPI spectrum is indicative of unexpectedly small changes of the sandwich geometry on excitation. Time-dependent DFT calculations reveal fine effects of the ligand nature on the molecular and electronic structure variations accompanying electronic excitation. Different trends are predicted for the sandwich geometry transformations in the mixed sandwich complex and its symmetric isomer, (η6-C6H6)2Cr, both on Rydberg excitation and ionization.

Graphical abstract: Rydberg state mediated multiphoton ionization of (η7-C7H7)(η5-C5H5)Cr: DFT-supported experimental insights into the molecular and electronic structures of excited sandwich complexes

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Publication details

The article was received on 13 Feb 2019, accepted on 12 Mar 2019 and first published on 12 Mar 2019


Article type: Paper
DOI: 10.1039/C9CP00888H
Citation: Phys. Chem. Chem. Phys., 2019, Advance Article

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    Rydberg state mediated multiphoton ionization of (η7-C7H7)(η5-C5H5)Cr: DFT-supported experimental insights into the molecular and electronic structures of excited sandwich complexes

    S. Yu. Ketkov, S. Y. Tzeng, E. A. Rychagova, L. V. Kalakutskaya, M. Fuss, H. Braunschweig and W. Tzeng, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP00888H

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