Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuF-Reference-Cited by-同舟云学术

Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuF

Published:2015 Issue:38 Volume:17 Page:25516-25524
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Maldonado Alejandro F.¹²³⁴⁵,Melo Juan I.⁶⁷⁵,Aucar Gustavo A.¹²³⁴⁵

Affiliation:

1. Institute for Modelling and Innovative Technology

2. IMIT (CONICET-UNNE) and Physics Department – Natural and Exact Science Faculty

3. Northeastern University of Argentina

4. Corrientes

5. Argentina

6. Dpto. de Fisica

7. Fac. Cs. Exactas y Naturales – Universidad de Buenos Aires

Abstract

An unphysical shielding constant for Au in AuF.

Funder

Universidad de Buenos Aires

Consejo Nacional de Investigaciones Científicas y Técnicas

Agencia Nacional de Promoción Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP04215A

Reference38 articles.

1. Relativistic effects on the nuclear magnetic shieldings of rare-gas atoms and halogen in hydrogen halides within relativistic polarization propagator theory

2. Relativistic heavy-atom effects on heavy-atom nuclear shieldings

3. Relativistic effects on the shielding of SnH2XY and PbH2XY (X, Y = F, Cl, Br and I) heavy atom–containing molecules

4. Relativistic effects on group-12 metal nuclear shieldings

5. Relativistic effects on nuclear magnetic shieldings of CHnX4−n and CHXYZ (X, Y, Z = H, F, Cl, Br, I)

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