Interstellar chemistry of CN radicals on ices: The formation of CH3CN and CH3NC and potential connection to acetamide

Open Access

Table 3

Diffusion energetics away from the same binding site for the case with ^•CN present on the ice and without (see Figure 4).

	^•CN – (H₂O)₁₄ + ^•CH₃			(H₂O)₁₄ + ^•CH₃

	ΔE_a	ΔE_r		ΔE_a	ΔE_r
BS₁	1.1 (0.9)	−0.1	BS₁	2.3 (2.3)	−2.0
BS₂	3.0 (2.4)	2.0	BS₂	0.7 (1.2)	1.0
BS₃	1.8 (2.1)	1.7	BS₃	2.5 (4.0)	0.1
BS₄	3.1 (3.9)	0.7	BS₄	4.1 (3.8)	−0.6

Notes. All energy values are in kJ mol⁻¹ and contain zero-point vibrational energy corrections except the ones in parentheses, which are the bare DFT-D values.

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