Table 8
HNCNH – Class B reactions.
| Ra/id | Reaction mechanisms (NH2CN) | ΔH° | ΔS° | ΔG° | ΔH° | ΔS° | ΔG° |
|---|---|---|---|---|---|---|---|
| Rb2 | 3CH2+N2 → HNCNH | −56.93 | −47.54 | −48.85 | −54.50 | −46.24 | −46.64 |
| Rb4 |  |
−6.10 | −8.28 | −4.69 | −16.15 | −7.61 | −14.86 |
| Rb16 | •H2NC + •N → 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+1N2O → HNCNH+−NO | −153.37 | −0.14 | −153.35 | −42.39 | 1.30 | −42.61 |
| Rb23 | HCNO + •NH2 → HNCNH + 2•OH | −40.97 | −2.37 | −40.53 | −37.59 | −2.86 | −37.11 |
| Rb24 | HCNO + NH3 → HNCNH + H2O | −52.42 | −1.62 | −52.15 | −50.15 | −2.15 | −49.79 |
| Rb27 | CNCN+H2O → HNCNH+1CO | −32.50 | 3.49 | −33.09 | −30.93 | 1.88 | −31.25 |
| Rb34 | •HNCN+•H → HNCNH | −92.46 | −40.19 | −85.63 | −103.22 | −39.50 | −96.50 |
| Rb36 | •HNCN+3NH→HNCNH+•N | −14.15 | −6.35 | −13.07 | −33.25 | −5.67 | −32.28 |
Notes. Thermodynamic function values of reactions able to synthesize HNCNH at a Tgas = 170 K, and a Pgas = 5.92 × 10−4 atm. composed of undetected reagents in Sgr B2(N). Values in black correspond to CCSD(T)-F12/cc-pVTZ-F12 energies, while the blue ones belong to MP2/aug-cc-pVDZ calculations. All presented 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 reaction entropy (ΔS°) values are given in cal mol−1 K−1.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.