Optical spectrum of proflavine and its ions
Materials Science
2014-11-21 v1 Solar and Stellar Astrophysics
Chemical Physics
Biomolecules
Abstract
Motivated by possible astrophysical and biological applications we calculate visible and near UV spectral lines of proflavine (C13H11N3, 3,6-diaminoacridine) in vacuum, as well as its anion, cation, and dication. The pseudopotential density functional and time-dependent density functional methods are used. We find a good agreement in spectral line positions calculated by two real-time propagation methods and the Lanczos chain method. Spectra of proflavine and its ions show characteristic UV lines which are good candidates for a detection of these molecules in interstellar space and various biological processes.
Keywords
Cite
@article{arxiv.1005.1044,
title = {Optical spectrum of proflavine and its ions},
author = {A. Bonaca and G. Bilalbegovic},
journal= {arXiv preprint arXiv:1005.1044},
year = {2014}
}