1.
Chem Commun (Camb)
; 60(8): 1008-1011, 2024 Jan 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38168692
RESUMO
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.