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

S.J. Spa, A.W. Hensbergen, S. van der Wal, J. Kuil, F.W.B. van Leeuwen*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)

Abstract

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).

Original languageEnglish
Pages (from-to)50-55
Number of pages6
JournalData in Brief
Volume22
DOIs
Publication statusPublished - Feb 2019

Keywords

  • Cyanine
  • Electrostatic density
  • Fluorescence
  • Stacking

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