Published in
Royal Society of Chemistry, RSC Advances, 31(11), p. 19029-19040, 2021
DOI: 10.1039/d1ra01377g
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First-principles studies of substituent effects on squaraine dyes
Journal article published in 2021 by
German Barcenas 
,
Austin Biaggne ,
Olga A. Mass,
Christopher K. Wilson,
Olena M. Obukhova ,
Olga S. Kolosova,
Anatoliy L. Tatarets ,
Ewald Terpetschnig,
Ryan D. Pensack,
Jeunghoon Lee,
William B. Knowlton,
Bernard Yurke,
Lan Li
,
Austin Biaggne ,
Olga A. Mass,
Christopher K. Wilson,
Olena M. Obukhova ,
Olga S. Kolosova,
Anatoliy L. Tatarets ,
Ewald Terpetschnig,
Ryan D. Pensack,
Jeunghoon Lee,
William B. Knowlton,
Bernard Yurke,
Lan Li
This paper is made freely available by the publisher.
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Abstract
Squaraine dyes are candidates for DNA-templated excitonic interactions. This work presents substituent effects on the electronic and photophysicalproperties of squaraine dyes and a correlation between empirical Hammettconstant and those properties.