Ab initio investigation on the chemical origin of the firefly bioluminescence

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Abstract

The chemical origin of the firefly bioluminescence has been investigated by means of density functional and multireference theoretical methods. Different hypotheses on the mechanism of multicolour emission have been investigated: twisting around the central carbon–carbon bond, polarizability of the oxyluciferin microenvironment and presence of resonance structures. The calculated results indicated that the higher the polarizability of the microenvironment is, the larger the red shift of the bioluminescence is. Moreover, a quite flat potential energy surface should allow the easy shifting of the anion minimum between different pseudo-resonance structures. The possible effects of a tight or loose protein pocket has also been considered.

Detaljer

Författare
  • Ya-Jun Liu
  • Luca De Vico
  • Roland Lindh
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teoretisk kemi
  • Atom- och molekylfysik och optik

Nyckelord

Originalspråkengelska
Sidor (från-till)261-267
TidskriftJournal of Photochemistry and Photobiology, A: Chemistry
Volym194
StatusPublished - 2008
PublikationskategoriForskning
Peer review utfördJa