Experimental and Computational Evidence for “Double Pancake Bonds”: The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ2,3λ2-dithia-2,4,6-triazines-Reference-Cited by-同舟云学术

Experimental and Computational Evidence for “Double Pancake Bonds”: The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ2,3λ2-dithia-2,4,6-triazines

Published:2018-12-24 Issue:12 Volume:3 Page:18170-18180
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Boeré René T.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry and Canadian Centre for Research in Advanced Fluorine Technologies, University of Lethbridge, 4401 University Drive West, Lethbridge, Alberta, Canada T1K 3M4

Funder

Government of Canada

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.8b03211

Reference63 articles.

1. Aromaticity on the Pancake-Bonded Dimer of Neutral Phenalenyl Radical as Studied by MS and NMR Spectroscopies and NICS Analysis

2. Electronic Structure of a Stable Phenalenyl Radical as Studied by ESR/ENDOR, Paramagnetic NMR Spectroscopy and SQUID Measurements

3. Charge and Spin Currents in Open-Shell Molecules: A Unified Description of NMR and EPR Observables

4. Charge Shift Bonding Concept in Radical π-Dimers

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