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Home All issues Volume 672 (April 2023) A&A, 672 (2023) A49 Full HTML
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Table 5

NH2CN – Class A reactions.

Ra/id Reaction mechanisms (NH2CN) ∆H° ∆S° ∆G° ∆H° ∆S° ∆G°
Ra1 HNCNH → NH2CN −2.64 0.25 −2.65 −4.83 0.74 −4.85
Ra5 ·CN+-NH2 → NH2CN −115.22 −44.35 −114.34 −140.65 −41.95 −139.81
Ra6 ·CN + NH3 → NH2CN +·H −9.70 −6.66 −9.57 −30.07 −4.34 −29.98
Ra7 1HNC+-NH→NH2CN −96.41 −41.62 −95.58 −104.47 −40.97 −103.65
Ra8 1HNC+·NH2 →NH2CN+·H −4.94 −5.65 −4.82 −12.91 −5.05 −12.80
Ra9 1HNC+NH3 →NH2CN+H2 −2.47 −7.48 −2.32 −0.81 −6.89 −0.68
Ra10 HCN+3NH →NH2CN −81.79 −41.67 −80.96 −86.52 −40.03 −85.72
Ra22 ·H2 CN +1 N2O → NH2CN +·NO −22.76 −0.19 −22.75 −26.17 0.80 −26.19
Ra26 HOCN+NH3 →NH2CN+H2O −10.79 −3.17 −10.72 −12.05 −2.72 −11.99
Ra30 H2CNH1 +·NO→NH2CN+·2OH −1.52 −3.48 −1.45 −3.48 −1.39 −3.46
Ra48 NH2CHO+·N→NH2CN+·2OH −25.49 −0.92 −25.47 −17.52 −2.17 −17.47
Ra50 NH2CHO+3NH→NH2CN+H2O −64.78 −3.38 −64.71 −68.11 −4.59 −68.02
Ra52 NH2CHO+·CN→NH2CN+·HCO −17.77 0.94 −17.79 −35.18 −0.06 −35.18
Ra60 CH3NH2+·CN→NH2CN+·CH3 −33.15 −2.42 −33.11 −48.96 −1.06 −48.93

Notes. Thermodynamic function values of reactions able to synthesize NH2CN in Sgr B2(N) from reagents that are found to have a density above that of cyanamide in this region. The Tgas = 20 K, and the Pgas = 5.92 × 10−6 atm. Values in black correspond to CCSD(T)-F12/cc-pVTZ-F12 energies, while the blue values are MP2/aug-cc-pVDZ calculations. The reaction enthalpy (∆H°) and Gibbs free energy (∆G°) units are in kcal mol−1, while entropy units (∆S°) are in cal mol−1 K−1. All energies are corrected with their respective ZPVE.

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