Taking solution proton NMR to its extreme

• Verfasst von: Ott, Jonas C. [VerfasserIn]
• Verfasst von: Wadepohl, Hubert [VerfasserIn]
• Verfasst von: Enders, Markus [VerfasserIn]
• Verfasst von: Gade, Lutz H. [VerfasserIn]
• Titel: Taking solution proton NMR to its extreme
• Titelzusatz: prediction and detection of a hydride resonance in an intermediate-spin iron complex
• Verf.angabe: Jonas C. Ott, Hubert Wadepohl, Markus Enders, Lutz H. Gade
• E-Jahr: 2018
• Jahr: November 29, 2018
• Umfang: 5 S.
• Fussnoten: Gesehen am 12.03.2020
• Titel Quelle: Enthalten in: American Chemical SocietyJournal of the American Chemical Society
• Ort Quelle: Washington, DC : American Chemical Society, 1879
• Jahr Quelle: 2018
• Band/Heft Quelle: 140(2018), 50, Seite 17413-17417
• ISSN Quelle: 1520-5126
• DOI: doi:10.1021/jacs.8b11330
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1692373757

Abstract

Guided by DFT based modeling the chemical shift range of a hydride resonance in the proton nuclear magnetic resonance (NMR) spectrum of the intermediate-spin, square planar iron complex tBu(PNP)Fe-H was predicted and detected as a broad resonance at −3560 ppm (295 K) with a temperature dependent shift of approximately 2000 ppm between 223 and 383 K. The first detection of a metal-bonded hydrogen atom by solution NMR in a complex with a paramagnetic ground state illustrates the interplay of theory and experiment for the characterization of key components in paramagnetic base metal catalysis.