Excited state iminium form can explain the unexpected solvatochromic behavior of symmetric 1,5- and 1,8-diaminonaphthalenes
Literature Information
Publication Date
2023-12-23
DOI
10.1039/D3CC05643K
Impact Factor
6.222
Authors
Erika Kopcsik, Zoltán Mucsi, Bence Kontra, László Vanyorek, Rajmond Gál, Miklós Nagy
View Original
Abstract
A new model, based on the presence of the excited state iminium ion (Ar = NH2+), is proposed to interpret the solvatochromic behavior of symmetric 1,5- and 1,8-diaminonaphtahelenes (DANs) in aprotic to protic media. The importance of using explicit solvent models during DFT calculations in protic solvents to find the proper excited structure for symmetric molecules is also highlighted.
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Source Journal
Chemical Communications
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4.7%
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ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry
Recommended Compounds
6-Butyl-2-(2,4-difluorophenyl)-1,3,6,2-dioxazaborocane
CAS Number:
1190988-98-7
Molecular Formula:
C14H20BF2NO2
5-Bromo-4-chloro-2-(trifluoromethyl)quinazoline
CAS Number:
2089311-03-3
Molecular Formula:
C9H3BrClF3N2
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