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Home All issues Volume 672 (April 2023) A&A, 672 (2023) A49 Full HTML
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Table 3

Thermodynamic function values for reactions to synthesize HNCNH at Tgas = 170 K and Pgas = 5.92 × 10−4 atm.

R/id Reaction mechanisms (HNCNH/Tgas = 170 K) ∆H° ∆S° ∆G° ∆H° ∆S° ∆G°
Rb1 NH2 CN → HNCNH 2.61 −0.53 2.70 4.37 −0.74 4.49
Rb2 3 CH2 +N2 → HNCNH −56.93 −47.54 −48.85 −54.50 −46.24 −46.64
Rb3 3 CH2 +N2 H+ → HNCNH + H+ 59.88 −11.60 61.85 62.28 −11.11 64.17
Rb4 −6.10 −8.28 −4.69 −16.15 −7.61 −14.86
Rb5 ·CN+·NH2 → HNCNH −113.59 −50.06 −105.08 −134.57 −48.42 −126.34
Rb6 ·CN + NH3 → HNCNH + ·H −7.32 −10.88 −5.47 −28.02 −9.34 −26.43
Rb7 1HNC +3 NH → HNCNH −94.68 −45.61 −86.93 −97.48 −45.32 −89.78
Rb8 1HNC + ·NH2 → HNCNH + ·H −2.61 −10.28 −0.86 −9.00 −10.04 −7.30
Rb9 1 HNC + NH3 → HNCNH + H2 0.16 −7.86 1.50 1.82 −7.63 3.11
Rb10 HCN +3 NH → HNCNH −80.02 −45.31 −72.31 −79.56 −44.38 −72.01
Rb11 HCN + N2 H+ → HNCNH + ·N+ 203.02 −1.84 203.33 202.93 −1.84 203.24
Rb12 HCN+ ·NH2 → HNCNH + ·H 12.06 −9.98 13.75 8.92 −9.10 10.47
Rb13 HCN + NH3 → HNCNH + H2 14.82 −7.55 16.11 19.74 −6.69 20.88
Rb14 CH4 + N2H+ → HNCNH + H3+ 69.27 4.46 68.51 72.09 3.74 71.45
Rb15 H2 CO + 1N2 O → HNCNH +3 O2 41.58 0.78 41.45 48.24 1.28 48.02
Rb16 ·H2NC + ·N(2 D) → HNCNH −266.28 −46.04 −258.46 −161.30 −43.55 −153.90
Rb17 ·H2NC + 3NH → HNCNH + ·H −187.98 −12.20 −185.90 −91.32 −9.72 −89.67
Rb18 ·H2NC + ·NH2 → HNCNH + H2 −199.40 −13.62 −197.08 −98.58 −11.11 −96.69
Rb19 ·H2NC + 1N2 O → HNCNH + ·NO −153.37 −0.14 −153.35 −42.39 1.30 −42.61
Rb20 ·H2NC + HCN → HNCNH + ·CH −44.66 27.01 −49.25 60.35 28.89 55.44
Rb21 ·H2NC + HOCN → HNCNH + ·COH −99.85 −0.38 −99.79 4.43 0.86 4.28
Rb22 ·H2CN+ 1N2O → HNCNH + ·NO −20.10 −0.33 −20.04 −20.20 0.05 −20.21
Rb23 HCNO + ·NH2 → HNCNH +2 ·OH −40.94 −2.37 −40.53 −37.59 −2.86 −37.11
Rb24 HCNO + NH3 → HNCNH + H2 O −52.42 −1.62 −52.15 −50.15 −2.15 −49.79
Rb25 HNCO + NH3 → HNCNH + H2O 16.53 −3.01 17.05 16.97 −2.62 17.41
Rb26 HOCN + NH3 → HNCNH + H2 O −8.16 −3.55 −7.56 −7.71 −3.47 −7.12
Rb27 CNCN + H2 O→ HNCNH +1 CO −32.50 3.49 −33.09 −30.93 1.88 −31.25
Rb28 C2 H4 + N2 → HNCNH +3 CH2 115.71 6.90 114.53 115.77 7.90 114.43
Rb29 H2 CNH1 + HCN→ HNCNH + 3CH2 76.09 2.75 75.62 76.37 3.53 75.77
Rb30 H2CNH1 + ·NO → HNCNH + ·2OH 1.16 −3.46 1.75 −0.80 −2.14 −0.44
Rb31 HCNH+ + NH3 → HNCNH + H3 + 84.53 32.98 78.93 86.97 4.78 86.16
Rb32 HCNH+ + HNO→ HNCNH + OH+ 148.74 4.53 147.97 165.04 3.25 164.49
Rb33 HCNH+ + 1N2O→ HNCNH + NO+ 23.92 10.89 22.06 25.60 8.81 24.10
Rb34 ·HNCN+·H → HNCNH −92.46 −40.19 −85.63 −103.22 −39.50 −96.50
Rb35 ·HNCN + H2 → HNCNH + ·H 11.04 −3.44 11.62 −7.49 −2.82 −7.01
Rb36 ·HNCN +3 NH → HNCNH + ·N −14.15 −6.35 −13.07 −33.25 −5.67 −32.28
Rb37 ·HNCN + ·NH2 → HNCNH + 3NH −0.39 −4.86 0.44 −14.74 −4.22 −14.02
Rb38 ·HNCN + NH3 → HNCNH + ·NH2 13.80 −1.02 13.98 3.33 −0.42 3.40
Rb39 ·HNCN +3 CH2 → HNCNH + ·CH 7.24 23.90 3.18 −1.34 24.48 −5.50
Rb40 ·HNCN + ·CH3 → HNCNH +3 CH2 17.14 −0.21 17.17 2.04 0.00 2.04
Rb41 ·HNCN + H2O → HNCNH + ·OH 25.29 −1.77 25.59 15.89 −1.12 16.08
Rb42 ·HNCN +1 HCN → HNCNH + ·CN 18.52 −0.41 18.59 22.34 −1.12 22.53
Rb43 ·HNCN + HCN → HNCNH + ·CN 33.18 −0.11 33.20 40.27 −0.18 40.30
Rb44 ·HNCN + HNCO → HNCNH + ·NCO 87.17 −3.28 87.73 9.37 −2.50 9.79
Rb45 ·HNCN + HOCN → HNCNH + ·NCO 62.48 −3.82 63.12 −15.31 −3.35 −14.74
Rb46 ·HNCN + HCNO → HNCNH + ·CNO 47.94 −1.98 48.28 12.84 −1.34 13.07
Rb47 ·HNCN + HNCN → HNCNH + ·NCN 18.80 −56.31 28.37 5.67 −6.58 6.79
Rb48 NH2CHO + ·N → HNCNH + ·2OH −22.74 0.92 −22.89 −13.89 1.34 −14.11
Rb49 NH2 CHO + N2 → HNCNH + HNO 105.97 2.47 105.55 110.85 2.87 110.36
Rb50 NH2 CHO +3 NH → HNCNH + H2 O −62.18 −3.67 −61.56 −63.02 −3.21 −62.48
Rb51 NH2CHO + NO → HNCNH + ·HO2 80.13 1.31 79.91 67.21 1.59 66.94
Rb52 NH2 CHO + ·CN → HNCNH + ·HCO −15.17 0.65 −15.28 −32.31 1.32 −32.54
Rb53 NH2 CHO + HNO → HNCNH + H2 O2 22.80 −1.77 23.10 24.04 −1.97 24.38
Rb54 NH2CHO + NH2 → HNCNH + ·2OH + H2 12.41 34.52 6.54 48.84 33.77 43.09
Rb55 NH2 CHO + N2 H → HNCNH + NO + H2 41.95 34.11 36.15 39.86 34.61 33.97
Rb56 NH2 CHO +1 HNC → HNCNH + 1H2 CO 8.54 1.06 8.36 7.88 0.35 7.82
Rb57 NH2 CHO + HCN → HNCNH + 1H2 CO 23.21 1.36 22.98 25.80 1.29 25.58
Rb58 NH2 CHO+ 1N2 O → HNCNH+ trans-HONO 41.68 2.14 41.32 50.70 2.70 50.24
Rb59 NH2 CHO + 1N2 O → HNCNH + cis-HONO 42.04 2.11 41.68 51.24 2.42 50.83
Rb60 CH3NH2 + ·CN → HNCNH + ·CH3 −30.38 −0.74 −30.25 −46.52 0.33 −46.57

Notes. We follow the same criteria with respect to the levels of theory and the values of the energies shown in Table 2.

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