Copper(I) SNS pincer complexes: Impact of ligand design and solvent coordination on conformer interconversion from spectroscopic and computational studies

[Display omitted] •Syntheses and characterizations of novel Cu(I)-SNS pincer compounds are reported.•NMR spectroscopy indicates fluxionality of the SNS pincer.•VT NMR spectra permit thermodynamic analysis of the fluxionality.•DFT modeling supports a solvent-mediated hemilability of the SNS pincer. T...

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Veröffentlicht in:	Inorganica Chimica Acta 2019-09, Vol.495, p.118996, Article 118996
Hauptverfasser:	Lynn, Matthew A., Miecznikowski, John R., Jasinski, Jerry P., Kaur, Manpreet, Mercado, Brandon Q., Reinheimer, Eric, Almanza, Emilse M., Kharbouch, Rami M., Smith, Michael R., Zygmont, Samantha E., Flaherty, Nicole F., Smith, Amber C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Coordination compounds Copper Crystallography Density functional calculations Imidazole Infrared analysis Ligands Mass spectrometry Mathematical analysis Methylene NMR spectroscopy Solvent-induced hemilability Solvents Transition state analysis Triazoles Tridentate Cu(I) SNS pincer complexes Variable temperature NMR spectroscopy
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