Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework-Reference-Cited by-同舟云学术

Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework

Published:2016 Issue:34 Volume:18 Page:23572-23586
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aucar I. Agustín¹²³⁴⁵,Gomez Sergio S.¹²³⁴⁵,Giribet Claudia G.⁶²³⁷⁸,Aucar Gustavo A.¹²³⁴⁵

Affiliation:

1. Instituto de Modelado e Innovación Tecnológica

2. CONICET

3. and Departamento de Física – Facultad de Ciencias Exactas y Naturales

4. UNNE

5. Corrientes

6. Instituto de Física de Buenos Aires

7. UBA

8. Buenos Aires

Abstract

How can one extend Flygare's rule to the relativistic framework? Three models are proposed here. The best of them shows that σ is related with the spin-rotation tensor, the atomic shielding and a new term coined as σ^SO-S.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP03355E

Reference50 articles.

1. Magnetic Shielding of Nuclei in Molecules

2. Spin—Rotation Interaction and Magnetic Shielding in Molecules

3. Spin—Rotation Interaction and Magnetic Shielding in OF2

4. Magnetic interactions in molecules and an analysis of molecular electronic charge distribution from magnetic parameters

5. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei

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