Structural rearrangements and magic numbers in reactions between pyridine-containing water clusters and ammonia

The Journal of Physical Chemistry. a
Mauritz Johan RydingE Uggerud

Abstract

Molecular cluster ions H(+)(H(2)O)(n), H(+)(pyridine)(H(2)O)(n), H(+)(pyridine)(2)(H(2)O)(n), and H(+)(NH(3))(pyridine)(H(2)O)(n) (n = 16-27) and their reactions with ammonia have been studied experimentally using a quadrupole-time-of-flight mass spectrometer. Abundance spectra, evaporation spectra, and reaction branching ratios display magic numbers for H(+)(NH(3))(pyridine)(H(2)O)(n) and H(+)(NH(3))(pyridine)(2)(H(2)O)(n) at n = 18, 20, and 27. The reactions between H(+)(pyridine)(m)(H(2)O)(n) and ammonia all seem to involve intracluster proton transfer to ammonia, thus giving clusters of high stability as evident from the loss of several water molecules from the reacting cluster. The pattern of the observed magic numbers suggest that H(+)(NH(3))(pyridine)(H(2)O)(n) have structures consisting of a NH(4)(+)(H(2)O)(n) core with the pyridine molecule hydrogen-bonded to the surface of the core. This is consistent with the results of high-level ab initio calculations of small protonated pyridine/ammonia/water clusters.

References

Mar 4, 2005·The Journal of Chemical Physics·Chih-Che WuMichael L Klein
Oct 19, 2005·The Journal of Chemical Physics·David P Tew, Wim Klopper
Nov 5, 2005·The Journal of Chemical Physics·Eric G DikenKenneth D Jordan
Apr 28, 2007·The Journal of Chemical Physics·Martin SchmidtHai-Ping Cheng
Mar 5, 2008·The Journal of Chemical Physics·Kirk A PetersonHans-Joachim Werner
Dec 3, 2008·The Journal of Chemical Physics·Kazim E Yousaf, Kirk A Peterson
Jun 24, 2010·The Journal of Physical Chemistry. a·Preben HvelplundEinar Uggerud
Dec 2, 2010·Physical Chemistry Chemical Physics : PCCP·Mauritz Johan RydingEinar Uggerud
May 19, 2011·Journal of Computational Chemistry·Rafał A BachorzDavid P Tew
Jun 28, 2011·Physical Chemistry Chemical Physics : PCCP·Alexey S ZatulaEinar Uggerud

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Citations

May 11, 1999·Parasitology Today·D Buzoni-Gatel, L H Kasper
Jan 16, 2016·The Journal of Physical Chemistry. a·Nanna MyllysHanna Vehkamaki
Sep 24, 2016·Journal of Chemical Theory and Computation·Lauri PartanenLauri Halonen
Nov 4, 2016·The Journal of Physical Chemistry. a·Lauri PartanenEvgeni Zapadinsky
Dec 13, 2016·Physical Chemistry Chemical Physics : PCCP·Jonas Elm, Kasper Kristensen
Mar 27, 2015·Physical Chemistry Chemical Physics : PCCP·Jonas ElmKurt V Mikkelsen
Mar 18, 2016·Physical Chemistry Chemical Physics : PCCP·Mauritz Johan RydingEinar Uggerud
Apr 11, 2014·Physical Chemistry Chemical Physics : PCCP·Mauritz J Ryding, Einar Uggerud
Jan 27, 2015·Physical Chemistry Chemical Physics : PCCP·Mauritz Johan RydingEinar Uggerud
Aug 19, 2017·Physical Chemistry Chemical Physics : PCCP·Mauritz Johan RydingEinar Uggerud
Oct 5, 2018·Physical Chemistry Chemical Physics : PCCP·Fabio de A RibeiroWania Wolff
Apr 26, 2014·Physical Chemistry Chemical Physics : PCCP·Jonas ElmKurt V Mikkelsen
Aug 22, 2013·Physical Chemistry Chemical Physics : PCCP·Jonas ElmKurt V Mikkelsen
Nov 7, 2013·The Journal of Physical Chemistry. a·Jonas ElmKurt V Mikkelsen
Jun 4, 2015·The Journal of Organic Chemistry·Mauritz J RydingEinar Uggerud
Sep 7, 2013·Journal of the American Chemical Society·Terrence M ChangEvan R Williams
Jun 26, 2014·The Journal of Physical Chemistry. a·Joseph W DePalmaMurray V Johnston
Jul 11, 2013·The Journal of Physical Chemistry. a·Jonas ElmKurt V Mikkelsen
Mar 17, 2018·The Journal of Physical Chemistry. a·Chun-Yu WangWei Huang

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