Characterization of weak NH-pi intermolecular interactions of ammonia with various substituted pi-systems

Journal of the American Chemical Society
Sascha VaupelKwang S Kim

Abstract

Among the several weak intermolecular interactions pervading chemistry and biology, the NH-pi interaction is one of the most widely known. Nevertheless its weak nature makes it one of the most poorly understood and characterized interactions. The present study details the results obtained on gas-phase complexes of ammonia with various substituted pi systems using both laser vibrational spectroscopy and ab initio calculations. The spectroscopic measurements carried out by applying one-color resonant two-photon ionization (R2PI) and IR-vibrational predissociation spectroscopy in the region of the NH stretches yield the first experimental NH stretching shifts of ammonia upon its interaction with various kinds of pi-systems. The experiments were complemented by ab initio calculations and energy decompositions, carried out at the second-order Møller-Plesset (MP2) level of theory. The observed complexes show characteristic vibrational spectra which are very similar to the calculated ones, thereby allowing an in-depth analysis of the interaction forces and energies. The interaction energy of the conformers responsible for the observed vibrational spectra has the maximum contribution from dispersion energies. This implies that polariza...Continue Reading

References

Jul 28, 1986·FEBS Letters·S K Burley, G A Petsko
Jun 20, 1988·Journal of Molecular Biology·M Levitt, M F Perutz
Jul 27, 2001·Nature·G R Desiraju
Sep 6, 2001·Proceedings of the National Academy of Sciences of the United States of America·F N Keutsch, R J Saykally
Nov 15, 2001·Journal of the American Chemical Society·M MeuwlyS Leutwyler
Dec 26, 2001·Chemical Reviews·K Müller-Dethlefs, P Hobza
Mar 20, 2003·Angewandte Chemie·Emmanuel A MeyerFrançois Diederich
Nov 20, 2003·Journal of the American Chemical Society·Jennifer van Wijngaarden, Wolfgang Jäger
Mar 12, 2004·Annual Review of Physical Chemistry·L S Bartell
Sep 14, 2004·Science·Shahram KhademiRobert M Stroud

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Citations

Apr 21, 2007·The Journal of Chemical Physics·Adriana C OlletaKwang S Kim
Jan 22, 2008·The Journal of Chemical Physics·Joseph R LaneHenrik G Kjaergaard
Feb 26, 2016·Journal of the American Chemical Society·Xiaolei ZhangDieter Cremer
May 11, 2016·The Journal of Physical Chemistry. a·Pujarini BanerjeeTapas Chakraborty
Jul 9, 2016·Journal of Chemical Theory and Computation·Pietro GiacintoMatteo Calvaresi
Dec 18, 2015·Physical Chemistry Chemical Physics : PCCP·Audrey LaventureChristian Pellerin
Mar 31, 2015·Physical Chemistry Chemical Physics : PCCP·Han Myoung LeeKwang S Kim
Nov 20, 2014·Physical Chemistry Chemical Physics : PCCP·M V KatkovA V Okotrub
May 4, 2011·Angewandte Chemie·Laura M SalonenFrançois Diederich
Aug 25, 2018·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Rahul ShuklaDeepak Chopra
Feb 21, 2008·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Han Myoung LeeKwang S Kim
Dec 22, 2009·Physical Chemistry Chemical Physics : PCCP·Mridula GuinKwang S Kim
Dec 22, 2009·Physical Chemistry Chemical Physics : PCCP·Matthew P GoslingMartin C R Cockett
Jun 28, 2011·Physical Chemistry Chemical Physics : PCCP·Chantal PfaffenSamuel Leutwyler
Jun 29, 2012·Physical Chemistry Chemical Physics : PCCP·Ting YangJohn S Fossey
Sep 8, 2012·Dalton Transactions : an International Journal of Inorganic Chemistry·Ananda Kumar Jami, Viswanathan Baskar
Feb 4, 2021·Organic Letters·Ryo TakishimaMasahiro Miura
Jul 1, 2008·Journal of Chemical Theory and Computation·Dong Young KimKwang S Kim
Nov 6, 2009·The Journal of Physical Chemistry. a·M PrakashV Subramanian
Mar 29, 2007·The Journal of Physical Chemistry. a·Prashant Chandra SinghG Naresh Patwari
Sep 15, 2009·The Journal of Physical Chemistry. B·Daniel E RosenfeldM D Fayer
Feb 27, 2009·The Journal of Physical Chemistry. B·Philipp OttigerWim Klopper
Mar 19, 2009·Journal of the American Chemical Society·Bing GaoMichael T Bowers
Aug 1, 2008·Journal of Chemical Theory and Computation·Dong Young KimKwang S Kim
Oct 17, 2009·The Journal of Physical Chemistry. a·Himansu S Biswal, Sanjay Wategaonkar
Mar 10, 2009·Journal of Chemical Theory and Computation·N Jiten SinghKwang S Kim
Sep 11, 2012·Journal of Chemical Theory and Computation·Jacob W G BloomSteven E Wheeler
Oct 12, 2010·Journal of Chemical Theory and Computation·S KarthikeyanKwang S Kim
Oct 26, 2013·The Journal of Physical Chemistry. a·Scott A ReidLloyd Muzangwa
Oct 8, 2011·The Journal of Physical Chemistry. a·M P S MateusB J Costa Cabral

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