Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band

The Journal of Chemical Physics
Changjian XieHua Guo

Abstract

Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH3(X̃(1)A1), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH3(X̃(1)A1) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH2(Ã(2)A1)/NH2(X̃(2)B1) branching ratio is found to be small regardless of the initial preparation of NH3(X̃(1)A1), while the internal state distribution of the preeminent fragment, NH2(X̃(2)B1), is found to depend strongly on the initial vibrational excitation of NH3(X̃(1)A1). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH2(X̃(2)B1) fragment, rather than in NH2(Ã(2)A1) as previously proposed. The high internal excitation of the NH2(X̃(2)B1) fragment is attributed to the torques exerted ...Continue Reading

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Citations

Oct 8, 2015·The Journal of Physical Chemistry. a·Xiaolei Zhu, David R Yarkony
Apr 22, 2016·The Journal of Physical Chemistry Letters·Michael EpshteinIlana Bar
Mar 17, 2016·Annual Review of Physical Chemistry·Dong H Zhang, Hua Guo
Jun 10, 2016·Journal of the American Chemical Society·Changjian XieHua Guo
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Hua Guo, David R Yarkony
Sep 3, 2017·The Journal of Chemical Physics·Tim Lenzen, Uwe Manthe
Apr 10, 2020·The Journal of Chemical Physics·Hans LischkaZhiyong Zhang
May 30, 2019·The Journal of Physical Chemistry. a·Yuchen WangDavid R Yarkony

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