Novotny, Jan; Jeremias, Lukas; Nimax, Patrick; Komorovsky, Stanislav; Heinmaa, Ivo; Marek, Radek published their research in Inorganic Chemistry in 2021. The article was titled 《Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes》.Related Products of 516-12-1 The article contains the following contents:
NMR spectroscopy of paramagnetic mols. provides detailed information about their mol. and electron-spin structure. The paramagnetic NMR spectrum is a very rich source of information about the hyperfine interaction between the at. nuclei and the unpaired electron d. The Fermi-contact contribution to ligand hyperfine NMR shifts is particularly informative about the nature of the metal-ligand bonding and the structural arrangements of the ligands coordinated to the metal center. In this account, we provide a detailed exptl. and theor. NMR study of compounds of Cr(III) and Cu(II) coordinated with substituted acetylacetonate (acac) ligands in the solid state. For the first time, we report the exptl. observation of extremely paramagnetically deshielded 13C NMR resonances for these compounds in the range of 900-1200 ppm. We demonstrate an excellent agreement between the exptl. NMR shifts and those calculated using relativistic d.-functional theory. Crystal packing is shown to significantly influence the NMR shifts in the solid state, as demonstrated by theor. calculations of various supramol. clusters. The resonances are assigned to individual atoms in octahedral Cr(acac)3 and square-planar Cu(acac)2 compounds and interpreted by different electron configurations and magnetizations at the central metal atoms resulting in different spin delocalizations and polarizations of the ligand atoms. Further, effects of substituents on the 13C NMR resonance of the ipso carbon atom reaching almost 700 ppm for Cr(acac)3 compounds are interpreted based on the anal. of Fermi-contact hyperfine contributions. The results came from multiple reactions, including the reaction of 1-Iodopyrrolidine-2,5-dione(cas: 516-12-1Related Products of 516-12-1)
1-Iodopyrrolidine-2,5-dione(cas: 516-12-1) is used in the preparation of vinyl sulfones from olefins and benzenesulfinic acid. It acts as a source for I+ and involved in Hunsdiecker reactions for the conversion of cinnamic acids, and propiolic acids to the corresponding alfa-halostyrenes and 1-halo-1-alkynes respectively. Related Products of 516-12-1
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com