Article ID Journal Published Year Pages File Type
5394905 Computational and Theoretical Chemistry 2011 4 Pages PDF
Abstract
► The S0 and S1 states of the neutral and protonated DCDHC are calculated. ► The experimental absorption and emission spectra are reproduced. ► Proton-induced intramolecular charge transfer occurs upon adding protons. ► The N atom of the amino group should be the major site to accept a proton.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical investigation on proton-induced intramolecular charge transfer of a D-π-A dye for a pH molecular switch
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