Separation of different hydrogen-bonded clusters by femtosecond UV-ionization-detected infrared spectroscopy: 1H-pyrrolo[3,2-h]quinoline.(H2O)(n=1,2) complexes

The Journal of Physical Chemistry. a
Yevgeniy NosenkoBernhard Brutschy

Abstract

Experimental and theoretical studies are presented for complexes of water with 1H-pyrrolo[3,2-h]quinoline (PQ), a bifunctional compound acting simultaneously as a hydrogen-bond donor and acceptor. A 1:1 complex, which is not fluorescent and only very short-lived in the electronically excited state, was analyzed by isolating the complex under supersonic jet conditions and characterizing its structure by infrared-induced ion depletion spectroscopy utilizing multiphoton ionization by femtosecond UV pulses (IR/fsMPI spectroscopy). On the other hand, a long-lived 1:2 complex was identified as the smallest microhydrate of PQ contributing to the laser-induced fluorescence excitation spectrum. Its structure was assigned by fluorescence-detected IR spectra and analyzed using density functional theory. The structures of the 1:1 and 1:2 clusters are assigned to species in which the water molecule(s) form a hydrogen-bonded solvent bridge between the two functional groups. In accord with calculations, both 1:1 and 1:2 PQ/water complexes reveal weaker hydrogen bonding than the analogous clusters of PQ with methanol.

Citations

Feb 6, 2017·Journal of Chemical Theory and Computation·Shiela Pijeau, Edward G Hohenstein
Sep 8, 2017·Physical Chemistry Chemical Physics : PCCP·Shmuel Zilberg, Bernhard Dick
Apr 8, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Maksim KunitskiBernhard Brutschy
May 7, 2010·Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology·Volha VetokhinaJacek Waluk
Sep 5, 2012·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Volha VetokhinaJerzy Herbich
Mar 2, 2017·Methods and Applications in Fluorescence·Michał GilJacek Waluk
Jan 13, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Surajit MaityG Naresh Patwari
Jan 28, 2009·Langmuir : the ACS Journal of Surfaces and Colloids·Liming ZhangZhongmin Su
Dec 31, 2009·The Journal of Physical Chemistry. a·Gabriela Wiosna-SałygaJacek Waluk
Jun 9, 2011·The Journal of Physical Chemistry. a·Yevgeniy NosenkoBernhard Brutschy
Sep 13, 2013·The Journal of Physical Chemistry. a·Volha VetokhinaJerzy Herbich
Nov 7, 2018·The Journal of Physical Chemistry. a·Luca SiffertSamuel Leutwyler

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