The addition of a benzene spacer in x-nucleobases affects the bases' optical absorption spectra. Time-dependent density functional theory (TDDFT) applied to xDNA revealed that the benzene component of the highest occupied molecular orbitals (HOMO) in the x-bases pins the absorption onset at an earlier point than natural bases. Another unusual feature of xDNA absorption spectra is the red-shifted excimers of xA in the low range. In terms of stacking fingerprints, there is a more pronounced hypochromicity seen in consecutive xA-T base pairs.
Implications of xDNA's altered absorption include applications in nanoelectronic technology and nanobiotechnology. The reduced spacing between x-nucleotides makes the helix stiffer, thus it is not as easily affected by substrate, electrode, and functional nanoparticle forces. Other alterations to natural nucleotides resulting in different absorption spectra will broaden these applications in the future.