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Quantum Chemistry

Solid-state (35/37) Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples.

PubMed
Authors: Bauder L, Wu G

Year

2024

Paper ID

9410

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

124

Citations

9

Abstract

We report high-quality solid-state Cl NMR spectra for chlorine atoms directly bonded to paramagnetic cobalt(II) ions high spin S = 3/2 in powered samples of CoCl , CoCl ·2H O, CoCl ·6H O, and CoCl (terpy) terpy = 2,2':6',2″-terpyridine. Because solid-state Cl NMR spectra for paramagnetic cobalt(II) compounds often cover an extremely wide spectral range, they were recorded in this work in the form of variable-offset cumulative spectra. Solid-state Cl NMR measurements were performed at three magnetic fields (11.7, 14.1, and 16.5 T) and analysis of data yielded information about Cl quadrupole coupling and hyperfine coupling tensors in these paramagnetic cobalt(II) compounds. Experimental Cl NMR tensors were found to be in reasonable agreement with quantum chemical calculations based on a periodic DFT method implemented in BAND.

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  • We report high-quality solid-state Cl NMR spectra for chlorine atoms directly bonded to paramagnetic cobalt(II) ions high spin S = 3/2 in powered samples of CoCl , CoCl ·2H O...

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References & Citation Signals

[1] DOI https://doi.org/10.1002/mrc.5407 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/37950603/

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