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- W4382369437 abstract "Recent joint mass spectrometric and IR photodissociation studies have provided proof on the existence of octa-coordinated ionic lanthanide-carbonyl complexes under those extreme gaseous conditions. In contrast, in older literature concerning cryogenic studies of neutral Ln(CO)x species, the highest coordination was assigned to hexa-coordinated Ln(CO)6 molecules. The present study aims to clarify the above controversy using matrix isolation spectroscopy and DFT calculations. In order to ensure the maximum possible coordination, the Ln(CO)x complexes were synthesized in neat CO cryogenic matrices at 10 K and were investigated by infrared and UV-visible spectroscopy. The formed complexes were identified on the basis of the characteristic CO stretching frequencies of the ground-state molecules predicted by DFT calculations. Our joint experimental–theoretical analysis confirmed the preference of octa-coordinated Ln(CO)8 complexes in cryogenic neat CO matrices." @default.
- W4382369437 created "2023-06-29" @default.
- W4382369437 creator A5052335305 @default.
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- W4382369437 date "2023-06-28" @default.
- W4382369437 modified "2023-09-26" @default.
- W4382369437 title "A DFT and Matrix–Isolation IR/UV-Visible Study of High-Coordinated Lanthanide-CO Complexes" @default.
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- W4382369437 doi "https://doi.org/10.3390/molecules28135043" @default.
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- W4382369437 hasPublicationYear "2023" @default.
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