Computational and experimental data on electrostatic density and stacking tendency of asymmetric cyanine 5 dyes

Far-red dyes such as cyanine 5 (Cy5) are gaining interest in (bio)medical diagnostics as they have promising features in terms of stability and brightness. Here, the electrostatic density and stacking tendency in different solvents of nine systematically altered asymmetrical Cy5 dyes are reported. I...

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Bibliographic Details
Published in:Data in brief 2019-02, Vol.22, p.50-55
Main Authors: Spa, S.J., Hensbergen, A.W., van der Wal, S., Kuil, J., van Leeuwen, F.W.B.
Format: Article
Language:English
Subjects:
Chemical Engineering
Cyanine
Electrostatic density
Fluorescence
Stacking
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Summary:Far-red dyes such as cyanine 5 (Cy5) are gaining interest in (bio)medical diagnostics as they have promising features in terms of stability and brightness. Here, the electrostatic density and stacking tendency in different solvents of nine systematically altered asymmetrical Cy5 dyes are reported. In addition to this, the influence of molecular alterations on the vibronic coupling was reported. The data presented supplement to the recent study “The influence of systematic structure alterations on the photophysical properties and conjugation characteristics of asymmetric cyanine 5 dyes” (Spa et al., 2018).
ISSN:2352-3409
2352-3409
DOI:10.1016/j.dib.2018.11.132