The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes-Reference-Cited by-同舟云学术

The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes

Author:

Viesser Renan V.¹²³⁴^ORCID,Ducati Lucas C.⁵¹⁶⁷⁴^ORCID,Tormena Cláudio F.¹²³⁴^ORCID,Autschbach Jochen⁸⁹¹⁰¹¹¹²^ORCID

Affiliation:

1. Institute of Chemistry

2. University of Campinas – UNICAMP

3. Campinas

4. Brazil

5. Department of Fundamental Chemistry

6. University of São Paulo

7. São Paulo

8. Department of Chemistry

9. University at Buffalo

10. State University of New York

11. Buffalo

12. USA

Abstract

NH₂ and NO₂ group effects on ¹³C NMR chemical shifts in substituted benzenes are explained by σ- instead of π-orbitals.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

São Paulo Research Foundation

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

Reference35 articles.

2. J. H. Simpson , Organic Structure Determination Using 2-D NMR Spectroscopy, Elsevier, Oxford, UK, 2008

3. J. Clayden , N.Greevs, S.Warren and P.Wothers, Organic Chemistry, Oxford University Press, USA, 1st edn, 2000

4. F. A. Carey and R. J.Sundberg, Advanced Organic Chemistry, Part A: Structure and Mechanisms, Springer, New York, USA, 5th edn, 2007

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