NICS values scan in three-dimensional space of the hoop-shaped π-conjugated molecules [6]8cyclacene and [16]trannulene-Reference-Cited by-同舟云学术

NICS values scan in three-dimensional space of the hoop-shaped π-conjugated molecules [6]8cyclacene and [16]trannulene

Published:2018 Issue:3 Volume:42 Page:1987-1994
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Li Qing¹²³⁴⁵,Xu Hong-Liang¹²³⁴⁵^ORCID,Su Zhong-Min¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Functional Material Chemistry

2. Faculty of Chemistry

3. Northeast Normal University

4. Changchun

5. China

Abstract

In this work, [6]₈cyclacene and [16]trannulene are used as representative molecules to further study the aromaticity from a new research perspective by using the NICS values scan in three-dimensional space methodology. A huge difference of aromaticity has been observed in three-dimensional space through the method.

Funder

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NJ/C7NJ04110A

Reference41 articles.

1. Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe

2. Aromaticity and Ring Currents

3. Two faces of the structural aspects of aromaticity

4. Nucleus-Independent Chemical Shifts (NICS): Distance Dependence and Revised Criteria for Aromaticity and Antiaromaticity

5. What is aromaticity?

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