Ultraviolet relaxation dynamics of aniline, N, N-dimethylaniline and 3,5-dimethylaniline at 250 nm

The Journal of Chemical Physics
James O F ThompsonDave Townsend

Abstract

Time-resolved photoelectron imaging was used to investigate the electronic relaxation dynamics of gas-phase aniline, N, N-dimethylaniline, and 3,5-dimethylaniline following ultraviolet excitation at 250 nm. Our analysis was supported by ab initio coupled-cluster calculations evaluating excited state energies and (in aniline) the evolution of a range of excited state physical properties as a function of N-H bond extension. Due to a lack of consistency between several earlier studies undertaken in aniline, the specific aim of this present work was to gain new insight into the previously proposed non-adiabatic coupling interaction between the two lowest lying singlet excited states S1(ππ(∗)) and S2(3s/πσ(∗)). The methyl-substituted systems N, N-dimethylaniline and 3,5-dimethylaniline were included in order to obtain more detailed dynamical information about the key internal molecular coordinates that drive the S1(ππ(∗))/S2(3s/πσ(∗)) coupling mechanism. Our findings suggest that in all three systems, both electronic states are directly populated during the initial excitation, with the S2(3s/πσ(∗)) state then potentially decaying via either direct dissociation along the N-X stretching coordinate (X = H or CH3) or internal conversion...Continue Reading

References

Aug 31, 1999·Biological Reviews of the Cambridge Philosophical Society·C S Cockell, J Knowland
Feb 8, 2003·Annual Review of Physical Chemistry·Katharine L Reid
Apr 15, 2004·Chemical Reviews·Carlos E Crespo-HernándezBern Kohler
Apr 8, 2006·Annual Review of Physical Chemistry·Toshinori Suzuki
Jul 13, 2006·The Journal of Physical Chemistry. a·Xin-Juan HouMinh Tho Nguyen
Mar 17, 2009·Science·Christer Z BisgaardAlbert Stolow
Nov 18, 2009·Rapid Communications in Mass Spectrometry : RCM·Zhongyue ZhouFei Qi
Feb 2, 2010·Physical Chemistry Chemical Physics : PCCP·Michael N R AshfoldAlan G Sage
Mar 3, 2010·The Journal of Physical Chemistry. a·Oliver SchalkAlbert Stolow
Apr 15, 2010·Rapid Communications in Mass Spectrometry : RCM·Zhongyue ZhouFei Qi
Jun 10, 2010·The Journal of Chemical Physics·Graeme A KingMichael N R Ashfold
Oct 15, 2010·The Journal of Chemical Physics·Rebekka S von BentenBernd Abel
May 17, 2011·The Journal of Chemical Physics·Yoshi-Ichi SuzukiToshinori Suzuki
Aug 10, 2011·The Journal of Chemical Physics·Raúl MonteroAsier Longarte
Sep 29, 2011·Physical Chemistry Chemical Physics : PCCP·Guorong WuAlbert Stolow
Dec 7, 2011·The Journal of Physical Chemistry. a·James N BullClaire Vallance
Jun 20, 2012·Physical Chemistry Chemical Physics : PCCP·Roman SpesyvtsevHelen H Fielding
Jun 22, 2012·Journal of the American Chemical Society·Gareth M RobertsVasilios G Stavros
Jun 1, 2013·The Journal of Physical Chemistry. a·F WangG A Worth
Apr 24, 2014·Physical Chemistry Chemical Physics : PCCP·James N BullClaire Vallance
Jul 10, 2014·The Journal of Chemical Physics·Raúl MonteroAsier Longarte
Oct 14, 2014·Wiley Interdisciplinary Reviews. Computational Molecular Science·Kestutis AidasHans Agren
Feb 10, 2009·Journal of Chemical Theory and Computation·Ignacio Fdez GalvánManuel A Aguilar

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Citations

Mar 16, 2016·The Journal of Physical Chemistry Letters·Lluís BlancafortAsier Longarte
Nov 10, 2015·The Journal of Physical Chemistry. a·Elvira BohlEleanor E B Campbell
Mar 17, 2016·Annual Review of Physical Chemistry·Vasilios G Stavros, Jan R R Verlet
Sep 24, 2015·Physical Chemistry Chemical Physics : PCCP·Magdalena M ZawadzkiDave Townsend
Sep 9, 2015·Physical Chemistry Chemical Physics : PCCP·Viktoriya PoteryaMichal Fárník
May 21, 2015·Physical Chemistry Chemical Physics : PCCP·Oliver M KirkbyHelen H Fielding
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Liv B KleinDave Townsend
Oct 28, 2017·Physical Chemistry Chemical Physics : PCCP·Nikoleta Kotsina, Dave Townsend
Jan 24, 2019·Physical Chemistry Chemical Physics : PCCP·Raúl MonteroAsier Longarte
Mar 13, 2019·Physical Chemistry Chemical Physics : PCCP·Neil C Cole-Filipiak, Vasilios G Stavros
Oct 17, 2019·The Journal of Chemical Physics·Wan Ru JhangChien-Ming Tseng
Feb 10, 2019·The Journal of Chemical Physics·Martin A B LarsenDave Townsend
Apr 13, 2021·Journal of the American Chemical Society·Aleksandr O LykhinLaura Gagliardi
Apr 29, 2021·Physical Chemistry Chemical Physics : PCCP·Nikoleta Kotsina, Dave Townsend
May 7, 2021·Journal of Chemical Theory and Computation·Pierre-François LoosDenis Jacquemin
Jul 20, 2021·Physical Chemistry Chemical Physics : PCCP·Jyotirmoy Ray, Sai G Ramesh
Jul 25, 2021·Polymers·Alain Salvador Conejo-DávilaErasto Armando Zaragoza-Contreras
Aug 12, 2021·The Journal of Physical Chemistry. a·Lisa SaalbachDave Townsend
Nov 18, 2017·Environmental Science & Technology·Pablo CorrochanoPetr Klán
Sep 27, 2019·The Journal of Physical Chemistry. a·Iker LamasRaul Montero
Jan 30, 2019·The Journal of Physical Chemistry Letters·Nikoleta KotsinaDave Townsend

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