H-atom-assisted formation of key radical intermediates in interstellar sugar synthesis - New insights from para-H2 matrix isolation experiments

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Table 9

Relative energies of the H-atom reactions of anti,syn,cis-EG.

	ΔE (kJ mol⁻¹)
anti,syn,cis-EG + H	0.0
TS₁₁	4.2
anti,syn,cis-R₅ + H₂	−55.1
TS₁₂	22.5
anti,syn,cis-R₆ + H₂	−23.9
TS₁₃	80.0
R₈ + H₂O	−119.8

Notes. The relative energies, reported in kJ mol⁻¹, were computed at the B3LYP/cc-pVTZ level of theory. The energies are given with a ZPVE correction. R₅: HO−ĊH−CH₂−OH, R₆: $\dot{O}$ $\[\dot{\mathrm{O}}\]$ −CH₂−CH₂−OH, R₈: ĊH₂−CH₂−OH.

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