Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band

Full-dimensional state-to-state quantum dynamics of the photodissociation of NH3((A) over tilde (1)A(2)'') is investigated on newly developed coupled diabatic potential energy surfaces. For the first time, the rovibrational distributions of the nonadiabatically produced NH2((X) over tilde B-2(1)) product have been determined quantum mechanically. In agreement with experimental observations, NH2((X) over tilde B-2(1)) produced from the 0(0) and 2(1) states of NH3((A) over tilde (1)A(2)'') was found to be dominated by its ground vibrational state with an N = K-a propensity, shedding light on the quantum-state-resolved nonadiabatic dynamics facilitated by conical intersections and setting the stage for the elucidation of vibrationally mediated photodissociation.