Electronic states of the indole-acrylamide molecular pair.

P. Ilich, F. G. Prendergast

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

A model is suggested for tryptophan fluorescence quenching by acrylamide based on the prediction that acrylamide can absorb a photon from the excited indole moiety and then dissipate the optical energy into a sink of fast exchanging conformations. Semiempirical electronic structure calculations of the indole-acrylamide pair indicate little actual intermolecular orbital mixing at van der Waals contact distances. However, the two lowest singlet transitions of the molecular pair, assigned to the acrylamide (pi *)----n(O) line and to the indole 1Lb----1A1 line, respectively, vary significantly in energies and in transition and excited state moments with the geometry of interaction between the two entities. The distribution of optimal quenching coordinations depends separately on the benzene and pyrrole portions and has a distinctly non-spherical shape at these distances.

Original languageEnglish (US)
Pages (from-to)445-453
Number of pages9
JournalPhotochemistry and Photobiology
Volume53
Issue number4
StatePublished - Apr 1991

Fingerprint

Acrylamide
indoles
Electronic states
quenching
electronics
Quenching
exchanging
tryptophan
pyrroles
sinks
Pyrroles
Electron transitions
Benzene
Photons
benzene
Excited states
Tryptophan
electronic structure
Electronic structure
moments

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Biochemistry
  • Biophysics

Cite this

Electronic states of the indole-acrylamide molecular pair. / Ilich, P.; Prendergast, F. G.

In: Photochemistry and Photobiology, Vol. 53, No. 4, 04.1991, p. 445-453.

Research output: Contribution to journalArticle

Ilich, P & Prendergast, FG 1991, 'Electronic states of the indole-acrylamide molecular pair.', Photochemistry and Photobiology, vol. 53, no. 4, pp. 445-453.
Ilich, P. ; Prendergast, F. G. / Electronic states of the indole-acrylamide molecular pair. In: Photochemistry and Photobiology. 1991 ; Vol. 53, No. 4. pp. 445-453.
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