Effects of stereoelectronic interactions on the relativistic spin–orbit and paramagnetic components of the 13C NMR shielding tensors of dihaloethenes-Reference-Cited by-同舟云学术

Effects of stereoelectronic interactions on the relativistic spin–orbit and paramagnetic components of the 13C NMR shielding tensors of dihaloethenes

Published:2015 Issue:29 Volume:17 Page:19315-19324
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Viesser Renan V.¹²³⁴,Ducati Lucas C.⁵⁶⁷⁴,Autschbach Jochen⁸⁹¹⁰¹¹¹²,Tormena Cláudio F.¹²³⁴

Affiliation:

1. Chemical Institute

2. University of Campinas – UNICAMP

3. 13083-970 Campinas

4. Brazil

5. Institute of Chemistry

6. University of São Paulo

7. 05513-970 São Paulo

8. Department of Chemistry

9. University at Buffalo

10. State University of New York

11. Buffalo

12. USA

Abstract

The interactions between iodine atoms are responsible for lower ¹³C NMR shielding for the cis isomers in comparison to trans.

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/C5CP02026C

Reference61 articles.

1. J. Autschbach , in High Resolution NMR Spectroscopy: Understanding Molecules and Their Electronic Structures, ed. R. H. Contreras, Elsevier, Oxford, 2013, ch. 4, pp. 69–112

2. J. Autschbach and T.Ziegler, in Encyclopedia of Nuclear Magnetic Resonance, ed. D. M. Grant and R. K. Harris, Wiley-VCH, Chichester, 2002, vol. 9

3. Relativistic effects in structural chemistry

4. NMR shielding constants of CuX, AgX, and AuX (X = F, Cl, Br, and I) investigated by density functional theory based on the Douglas-Kroll-Hess Hamiltonian

5. Relativistic Effects in Chemistry: More Common Than You Thought

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