A Localized Molecular Orbital Study of the Halogen Substitution Effect on 103Rh NMR Shielding in [Cp*RhX2]2, Where X = Cl, Br, or I
Author:
Affiliation:
1. Nikolaev Institute of Inorganic Chemistry SB RAS, Lavrentiev Ave., 3, Novosibirsk, 630090 Russia
Funder
Russian Foundation for Basic Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b00882
Reference34 articles.
1. Nuclear Shielding of the Transition Metals
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4. Spin-orbit effect on the magnetic shielding constant: niobium hexahalides and titanium tetrahalides
5. How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds
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4. Large relativistic effects in 119Sn NMR parameters: A case study of complex anions [Cp*M(SnCl3)nCl3−n]−, where M = Rh, Ir; n = 1, 2, 3;Computational and Theoretical Chemistry;2021-11
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