13C NMR spectra of M(acac)n@para-C6F4Br2/I2 cocrystal

Published: 2 October 2025| Version 1 | DOI: 10.17632/54yjj55rt3.1
Contributor:
Jan Novotny

Description

A) ssNMR spectra in TopSpin format 1. Bruker AVANCE Neo 700 MHz, VF-MAS, 1.3 mm probe, 50 kHz, T= 298 K: Cu_TFBB_1Br - Cu(acac)2@para-C6F4Br2 (labeled as 1Br) Cu_TFIB_1I - Cu(acac)2@para-C6F4I2 (labeled as 1I) Ni_TFIB_3I - Ni(acac)2(H2O)2@para-C6F4I2 (labeled as 3I) 2. Bruker Avance III HD 500 MHz, CP-MAS 3.2mm probe, 15 kHz: Pd_TFBB_2Br - Pd(acac)2@para-C6F4Br2 (labeled as 2Br) Pd_TFIB_2I - Pd(acac)2@para-C6F4I2 (labeled as 2I) 3. TFIB - ssNMR of para-C6F4I2 B) solution NMR spectra in CDCl3 on Bruker Avance Neo HD 500 MHz, T=298 K Pd_TFIB_2I_solNMR - Pd(acac)2@para-C6F4I2 (labeled as 2I) Pd_TFBB_2Br_solNMR - Pd(acac)2@para-C6F4Br2 (labeled as 2Br)

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Institutions

  • Masarykova univerzita

Categories

DFT Method Application, Paramagnetic Shift Effect, 13C NMR Spectroscopy

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