How the Metal Ion Affects the <sup>1</sup>H NMR Chemical Shift Values of Schiff Base Metal Complexes: Rationalization by DFT Calculations-Reference-Cited by-同舟云学术

How the Metal Ion Affects the ¹H NMR Chemical Shift Values of Schiff Base Metal Complexes: Rationalization by DFT Calculations

Published:2023-10-31 Issue:44 Volume:127 Page:9283-9290
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Butera Valeria¹,D’Anna Luisa¹^ORCID,Rubino Simona¹,Bonsignore Riccardo¹^ORCID,Spinello Angelo¹^ORCID,Terenzi Alessio¹^ORCID,Barone Giampaolo¹^ORCID

Affiliation:

1. Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, University of Palermo, viale delle Scienze Edificio 17, Palermo 90128, Italy

Funder

European Commission

Universit? degli Studi di Palermo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c05653

Reference33 articles.

1. Predicting the NMR Spectra of Paramagnetic Molecules by DFT: Application to Organic Free Radicals and Transition-Metal Complexes

2. Improvements in DFT Calculations of Spin–Spin Coupling Constants

3. DFT calculations of molecular magnetic properties of coordination compounds

4. Combining NMR spectroscopy and quantum chemistry as tools to quantify spin density distributions in molecular magnetic compounds

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