. 2023 Jan 13;127(3):685–703. doi: 10.1021/acs.jpca.2c07708

Table 2. Theoretical Branching Fractions Calculated for the O(³P) + HC₃N Reaction at E_c = 31.1 kJ/mol Occurring Adiabatically on the Triplet PES (Second Column) and for the O(³P) Reaction Assuming Complete ISC to the Underlying Singlet PES at the Collision Energy of the Present CMB Experiment^a.

products	O(³P) reaction on the triplet PES (adiabatic)	O(³P) reaction proceeding only via ISC	assuming an ISC extent of 90%	experimental BF
HCCN + CO	0.02 (³HCCN)	0.99 (¹HCCN)	0.89	0.90 ± 0.05
OC₃N + H	0.98	0.01	0.11	0.10 ± 0.05

The best comparison with the experimental BF values (last column) is obtained when assuming that 90% of the reaction proceeds via ISC.

Table 2. Theoretical Branching Fractions Calculated for the O(3P) + HC3N Reaction at Ec = 31.1 kJ/mol Occurring Adiabatically on the Triplet PES (Second Column) and for the O(3P) Reaction Assuming Complete ISC to the Underlying Singlet PES at the Collision Energy of the Present CMB Experimenta.