How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn–Sham molecular orbital theory and Voronoi deformation density analysis-Reference-Cited by-同舟云学术

How amino and nitro substituents direct electrophilic aromatic substitution in benzene: an explanation with Kohn–Sham molecular orbital theory and Voronoi deformation density analysis

Published:2016 Issue:17 Volume:18 Page:11624-11633
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Stasyuk O. A.¹²³⁴,Szatylowicz H.¹²³⁴,Krygowski T. M.⁵⁶⁷⁴,Fonseca Guerra C.⁸⁹¹⁰¹¹

Affiliation:

1. Faculty of Chemistry

2. Warsaw University of Technology

3. Warsaw 00-664

4. Poland

5. Department of Chemistry

6. University of Warsaw

7. 02-093 Warsaw

8. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling

9. Vrije Universiteit Amsterdam

10. 1081 HV Amsterdam

11. The Netherlands

Abstract

Molecular orbitals of aniline explain electrophilic substitution, whereas for nitrobenzene charge rearrangements are needed.

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/C5CP07483E

Reference49 articles.

1. M. B. Smith , March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure, Wiley, New Jersey, 7th edn, 2013

2. F. A. Carey , Organic Chemistry, McGraw-Hill Higher Education, 2008

3. P. Y. Bruice , Organic Chemistry, Pearson/Prentice Hall, 2004

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

5. THE ATOM AND THE MOLECULE.

Cited by 46 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity;Chemistry – A European Journal;2024-01-12

2. What defines electrophilicity in carbonyl compounds;Chemical Science;2024

3. Green fabrication and photoactivity of novel heteroatom modified metal heaxcyanocobaltate nanocomposites for efficient removal of organic pollutants from wastewater;Ceramics International;2023-12

4. Sustainable nanohybrid of CaO with rGO for efficient photocatalytic removal of wastewater pollutants;Environmental Nanotechnology, Monitoring & Management;2023-12

5. Dibenzoheterole-Fused s-Indacenes;The Journal of Organic Chemistry;2023-11-09