Spectral tuning by switching C-H[...]O hydrogen bonds: rotation-induced spectral shifts of 7-hydroxyquinoline HCOOH isomers

The Journal of Chemical Physics
Markus ThutSamuel Leutwyler

Abstract

Spectral tuning effects on visible chromophores by hydrogen bonds are central to the chemistry of vision and of photosynthesis. A model for large spectral tuning effects by hydrogen bond switching is provided by the 7-hydroxyquinoline x HCOOH complex, which forms two isomers, CTN1 and CTN2, both with an HCOOH[...]N hydrogen bond but with different (quinoline)C-H[...]O=C hydrogen bonds. A 180 degrees rotation of the HCOOH moiety around the O-H[...]N hydrogen bond exchanges the C-H[...]O hydrogen bonds, rotates the dipole moment of HCOOH, and leads to an approximately 850 cm(-1) shift of the electronic spectrum. Mass-selected S1<--S0 resonant two-photon ionization, UV-UV holeburning, S1-->S0 fluorescence spectra, and photoionization efficiency curves of the two 7-hydroxyquinoline x HCOOH isomers were measured in supersonic expansions. Comparison to ab initio calculations allow us to determine the H-bond connectivity and structure of the two isomers and to assign their inter- and intramolecular vibrations. The Franck-Condon factors of the intermolecular shear vibration chi in the S1<--S0 spectra indicate that the weak C-H[...]O hydrogen bond contracts markedly in the CTN1 isomer but expands in the CTN2 isomer. These changes of H-b...Continue Reading

References

Nov 15, 2001·Journal of the American Chemical Society·M MeuwlyS Leutwyler
Dec 6, 2003·Science·Christian TannerSamuel Leutwyler
Jan 10, 2006·Biophysical Journal·Danielis RutkauskasRienk van Grondelle
Jan 25, 2006·Biochemistry·Danielis RutkauskasRienk van Grondelle
Feb 3, 2006·The Journal of Physical Chemistry. a·Christian TannerSamuel Leutwyler
Nov 23, 2006·Angewandte Chemie·Sivakumar SekharanVolker Buss

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Citations

Dec 3, 2016·The Journal of Chemical Physics·Deacon J NemchickPatrick H Vaccaro
May 31, 2008·The Journal of Physical Chemistry. a·Markus ThutSamuel Leutwyler
Dec 30, 2011·The Journal of Physical Chemistry. a·Rajeev K SinhaSamuel Leutwyler
May 3, 2013·The Journal of Physical Chemistry. a·Susan BlaserSamuel Leutwyler

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