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Home All issues Volume 672 (April 2023) A&A, 672 (2023) A49 Full HTML
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Table 6

NH2CN – Class B reactions.

Ra/id Reaction mechanisms (NH2 CN) ΔH° ΔS° ΔG° ΔH° ΔS° ΔG°
Ra2 •3CH2 +N2 → NH2CN −58.57 −41.84 −57.73 −61.59 −39.77 −60.80
Ra4 −1.10 −5.40 −0.99 −7.05 −3.72 −6.98
Ra16 •H2NC + •N → NH2CN −268.22 −44.57 −267.33 −167.31 −41.33 −166.48
Ra17 •H2NC + •3NH → NH2CN + •H −190.36 −7.96 −190.20 −95.37 −4.72 −95.27
Ra18 •H2 NC + •NH2 → NH2 CN + H2 −201.93 −11.50 −201.70 −102.30 −8.25 −102.14
Ra19 •H2 NC + 1N2 O → NH2 CN + •NO −156.03 0.00 −156.03 −48.35 2.04 −48.39
Ra23 HCNO + •NH2 → NH2 CN +2 •OH −43.23 2.23 −43.27 −42.96 0.01 −42.96
Ra24 HCNO + NH3 → NH2 CN + H2 O −54.86 0.86 −54.88 −54.91 −1.41 −54.88
Ra27 CNCN + H2O → NH2CN +1 CO −34.86 6.32 −34.98 −35.76 2.62 −35.81
Ra34 •HNCN+•H → NH2CN −94.33 −38.28 −93.57 −111.35 −37.28 −110.61
Ra36 •HNCN+3NH → NH2CN+•N −16.47 −1.67 −16.44 −39.41 −0.67 −39.40
Ra37 •HNCN+•NH2 → NH2CN+3NH −2.86 −2.30 −2.81 −19.79 −1.35 −19.76

Notes. Thermodynamic function values of reactions to synthesize NH2CN at a Tgas = 20 K, and a Pgas = 5.92 × 10−6 atm. composed of at least one undetected reagent in Sgr B2(N). Values in black correspond to CCSDT-F12/cc-pVTZ-F12 energies, while the blue ones belong to MP2/aug-cc-pVDZ. All values are corrected with their respective ZPVE energy. The reaction enthalpy (ΔH°) and Gibbs free energy (ΔG°) units are given in kcal mol−1, while entropy (ΔS°) units are in cal mol−1 K−1.

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