Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory-Reference-Cited by-同舟云学术

Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theory

Published:2017 Issue:28 Volume:19 Page:18635-18645
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yu Donghai¹²³⁴⁵,Rong Chunying¹²³⁴⁵,Lu Tian⁶⁷⁵,Chattaraj Pratim K.⁸⁹¹⁰¹¹,De Proft Frank¹²¹³¹⁴¹⁵,Liu Shubin¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research (Ministry of Education of China)

2. College of Chemistry and Chemical Engineering

3. Hunan Normal University

4. Changsha

5. P. R. China

6. Beijing Kein Research Center for Natural Sciences

7. Beijing 100022

8. Department of Chemistry and Center for Theoretical Studies

9. Indian Institute of Technology

10. Kharagpur 721302

11. India

12. Research Group of General Chemistry (ALGC)

13. Vrije Universiteit Brussel (VUB)

14. 1050 Brussels

15. Belgium

Abstract

Strong correlations among aromaticity descriptors and information-theoretic quantities are unveiled, providing novel insights about aromaticity and antiaromaticity from different perspectives.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP03544F

Reference72 articles.

1. Aromatic Stabilization Energy Calculations for the Antiaromatic Fluorenyl Cation. Issues in the Choice of Reference Systems for Positively Charged Species

2. Aromaticity and stability going in opposite directions: An energetic, structural, magnetic and electronic study of aminopyrimidines

3. Energetic Aspects of Cyclic Pi-Electron Delocalization: Evaluation of the Methods of Estimating Aromatic Stabilization Energies