Schematic representation of fragment linear momenta , , and for triple dissociation to A + B + C. The three vectors are shifted to have origins at the center of mass of molecule ABC. θ, ϕ, and χ are the angles between recoil directions of fragments A and B, of B and C, and of C and A, respectively.
Potential-energy surface of ethanedial (C2H2O2) for binary and triple dissociation channels. Relative energies were calculated at the level of CCSD(T)/6-311+G(3df,2p)//B3LYP/6-311G(d,p) + ZPE[B3LYP/6-311G(d,p)] and given here in kcal mol−1. Pertinent molecular structures are presented therein.
Same as Fig. 2 except for propanal (C3H6O).
Same as Fig. 2 except for n-butane (C4H10).
Same as Fig. 2 except for 1-butene (C4H8).
Same as Fig. 2 except for 1,3-butadiene (C4H6).
Product branching ratios calculated for the photodissociation of five molecular systems at two excitation wavelengths.
Recoil angles and translational energy fractions of fragments in the triple dissociation ABC → A + B + C of six molecular systems.
Force constants (k), reduced masses (μ), and harmonic vibrational frequencies (ν) of the dissociating vibrational modes of transition structures corresponding to the concerted triple dissociation.a
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