【摘 要】
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Ammonia has long been regarded as a prototype for non-adiabatic dynamics in polyatomic systems and its A-band photodissociation has been involved many interesting issues,such as tunneling,non-adiabati
【机 构】
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School of Chemistry and Chemical Engineering,Nanjing University,Nanjing 210093,China
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Ammonia has long been regarded as a prototype for non-adiabatic dynamics in polyatomic systems and its A-band photodissociation has been involved many interesting issues,such as tunneling,non-adiabatic transitions and mode specificity.Recently,we reported full-dimensional state-to-state quantum dynamics for the photodissociation of NH3(A)based on newly developed coupled diabatic potential energy surfaces.[1] For the first time,the ro-vibrational distributions of the non-adiabatically produced NH2(X)have been determined quantum mechanically.NH2(X)produced from the 00 and 21 states of NH3(A)was found to be dominated by its ground vibrational state with an N=Ka propensity,which were in agreement with experimental observations.[2-5] While in experiment,the vibrational mode selectivity of ammonia in its photodissociation was found: symmetric and anti-symmetric stretching excitations indicate quite different product distribution.[4] It is shown that our new theoretical results are consistent with experimental observations,shedding light on the quantum state resolved non-adiabatic dynamics facilitated by conical intersections.
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