Synthesis and reactivity of dinuclear copper(<scp>i</scp>) pyridine diimine complexes

Michel, Stephan; Dammannn, Wiebke; Burger, Peter

doi:10.1039/d2dt02307e

Cited by 3 publications

(2 citation statements)

References 50 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…They concluded that the local force constants they observed for their complexes fell inline with the lowest calculated dissociation energies for the bonding interactions, and deduced these models provided congruent characterizations for the model chemistry. Burger and his group were able to confirm the weak interactions between binuclear copper(I) pyridine diimine centers when comparing the local force constants to the Mayer bond order and Wiberg and Fuzzy Cu–Cu bond orders. They also recently applied LMA in a study on the rare cleavage of an aromatic C–C bond in ferrocene by insertion of an iridium nitrido nitrogen atom.…”

Section: Resultsmentioning

confidence: 98%

The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena

et al. 2022

View full text Add to dashboard Cite

This Feature Article starts highlighting some recent experimental and theoretical advances in the field of IR and Raman spectroscopy, giving a taste of the breadth and dynamics of this striving field. The local mode theory is then reviewed, showing how local vibrational modes are derived from fundamental normal modes. New features are introduced that add to current theoretical efforts: (i) a unique measure of bond strength based on local mode force constants ranging from bonding in single molecules in different environments to bonding in periodic systems and crystals and (ii) a new way to interpret vibrational spectra by pinpointing and probing interactions between particular bond stretching contributions to the normal modes. All of this represents a means to work around the very nature of normal modes, namely that the vibrational motions in polyatomic molecules are delocalized. Three current focus points of the local mode analysis are reported, demonstrating how the local mode analysis extracts important information hidden in vibrational spectroscopy data supporting current experiments: (i) metal−ligand bonding in heme proteins, such as myoglobin and neuroglobin; (ii) disentanglement of DNA normal modes; and (iii) hydrogen bonding in water clusters and ice. Finally, the use of the local mode analysis by other research groups is summarized. Our vision is that in the future local mode analysis will be routinely applied by the community and that this Feature Article serves as an incubator for future collaborations between experiment and theory.

show abstract

Section: Resultsmentioning

confidence: 98%

The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena

et al. 2022

View full text Add to dashboard Cite

show abstract

“…Tridentate pyridine di-imine NNN-donor ligands are ubiquitous and employed in main group and transition metal complexes, including both, mono-and dinuclear systems [27][28][29][30][31]. They are commonly prepared by the Schiff-base condensation of a 2,6-diketo or dialdehyde pyridine with two equivalents of a desired aniline or amine derivative [27,28].…”

Section: Synthesis Of Ligandmentioning

confidence: 99%

Syntheses, Crystal and Electronic Structures of Rhodium and Iridium Pyridine Di-Imine Complexes with O- and S-Donor Ligands: (Hydroxido, Methoxido and Thiolato)

Stephan,

Völker,

Schreyer

et al. 2023

Chemistry

Self Cite

View full text Add to dashboard Cite

The syntheses of new neutral square-planar pyridine di-imine rhodium and iridium complexes with O- and S-donor (OH, OR, SH, SMe and SPh) ligands along with analogous cationic compounds are reported. Their crystal and electronic structures are investigated in detail with a focus on the non-innocence/innocence of the PDI ligand. The oxidation states of the metal centers were analyzed by a variety of experimental (XPS and XAS) and theoretical (LOBA, EOS and OSLO) methods. The dπ-pπ interaction between the metal centers and the π-donor ligands was investigated by theoretical methods and revealed the partial multiple-bond character of the M-O,S bonds. Experimental support is provided by a sizable barrier for the rotation about the Ir-S bond in the methyl thiolato complex and confirmed by DFT and LNO-CCSD(T) calculations. This was corroborated by the high Ir-O and Ir-S bond dissociation enthalpies calculated at the PNO-CCSD(T) level.

show abstract

State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms

Nagy

2024

Chem. Sci.

View full text Add to dashboard Cite

show abstract

Synthesis and reactivity of dinuclear copper(i) pyridine diimine complexes

Abstract: The reaction of a tethered pyridine diimine (PDI) ligand with copper(I) chloride yielded a µ-chlorido bridged cationic dicopper(I) PDI complex, which is a rare structural motif. The geometric constriction of...

Cited by 3 publications

References 50 publications

The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena

The Local Vibrational Mode Theory and Its Place in the Vibrational Spectroscopy Arena

Syntheses, Crystal and Electronic Structures of Rhodium and Iridium Pyridine Di-Imine Complexes with O- and S-Donor Ligands: (Hydroxido, Methoxido and Thiolato)

State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms

Contact Info

Product

Resources

About