Table 4
Molecular and atomic species that are part of the viable reactions to produce cyanamide (NH2CN) and caгbodiimide (HNCNH) in Sgr B2(N).
| Molecular name | Molecular specie (1) | Molecular mass (2) | Electronic state (3) | Spin multiplicity (4) | ETOT (5a) | ETOT (5 |
SgrB2(N) (6) | Trot (K) (7) | n (cm−3) (8) | References (9) | Notes* (10) |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyanamide | NH2CN | 42.04 | 1A’ | 1 | −93233.21 | −93104.17 | y | 150 | 8.3 × 10−9 | Belloche et al. (2014) | |
| 20 | 3.6 × 10−11 | Belloche et al. (2014) | |||||||||
| Carbodiimide | Trans-HNCNH | 42.04 | 1A1 | 1 | −93230.57 | −93100.12 | y | 170 | 6.6 × 10−12 | (McGuire et al. 2012) | Temp. in excess |
| Atomic hydrogen | ·H | 1.01 | 2S1/2 | 2 | −313.72 | −313.34 | y | 100 | 6.7 × 10−4 | Garrod & Widicus Weaver (2013) | |
| 40 | 9.5 × 10−5 | Garrod & Widicus Weaver (2013) | |||||||||
| Molecular hydrogen | H2 | 2.02 |  |
1 | −730.43 | −719.16 | y | 100 | 1.0 × 10−3 | Nummelin et al. (2000) | 23′′ resolution |
| 10 | 1.0 × 10−6 | Nummelin et al. (2000) | 46′′ resolution | ||||||||
| Atomic nitrogen | ·N | 14.00 |  |
4 | −34216.79 | −34179.30 | y | 170 | 2.1 × 10−5 | Quan & Herbst (2007) | |
| 20 | 3.0 × 10−6 | Quan & Herbst (2007) | |||||||||
| Doublet atomic nitrogen | ·N | 14.00 | 2D | 2 | −34155.99 | −34100.81 | n/a | n/a | n/a | n/a | Not available density |
| Methylene | 3CH2 | 14.03 | 3B1 | 3 | −24518.40 | −24477.67 | n | 40 | 1.1 × 10−9 | Polehampton et al. (2005) | SgrB2(M) |
| Imidogen | 3NH | 15.01 | 3Σ− | 3 | −34608.31 | −34560.05 | y | 6 | 1.0 × 10−8 | Neill et al. (2014) | |
| Amino-radical | ·NH2 | 16.02 | 2B1 | 2 | −35013.44 | −34958 05 | y | 100 | 2.67 × 10−9 | Neill et al. (2014) | |
| 14 | 5.7 × 10−9 | Neill et al. (2014) | |||||||||
| Ammoniumyl |  |
17.03 |  |
2 | −35198.19 | −35141.67 | n | n/a | n/a | Not detected* / see text | |
| Ammonia | NH3 | 17.03 | 1A1 | 1 | −35432.57 | −35373 03 | y | 150 | 3.3 × 10−5 | Neill et al. (2014) | |
| 20 | 1.2 × 10−8 | Neill et al. (2014) | |||||||||
| Water | H2O | 18.02 | 1A1 | 1 | −47909.33 | −47841.07 | y | 40 | 2.1 × 10−6 | Neill et al. (2014) | |
| Cyano radical | ·CN | 26.02 | 2Σ+ | 2 | −58104.70 | −58010 25 | y | 20 | 9.9 × 10−10 | Belloche et al. (2014) | |
| 40 | 1.0 × 10−9 | Neill et al. (2014) | |||||||||
| Hydrogen isocyanide | HNC | 27.03 | 1Σ+ | 1 | −58528.61 | −58446.14 | y | 150 | 1.3 × 10−10 | Neill et al. (2014) | |
| 50 | 1.43 × 10−10 | Neill et al. (2014) | |||||||||
| Hydrogen cyanide | HCN | 27.03 | 1 | −58543.22 | −58463.85 | y | 190 | 8.33 × 10−10 | Neill et al. (2014) | ||
| 50 | 1.29 × 10−9 | Neill et al. (2014) | |||||||||
| Molecular nitrogen | ·N2 | 28.01 | 1Σg+ | 1 | −68656.39 | −68571.57 | y | 50 | 3.3 × 10−7 | Knauth et al. (2004); Womack et al. (1992) | |
| Amino methylidyne | ·H2 NC | 28.03 | 2B2 | 2 | −58748.30 | −58761.70 | n | 4 | 3.3 ×10−8 | Cabezas et al. (2021) | Detected in L483 and B1-b |
| Methylene-amidogen | ·H2CN | 28.03 | 2B2 | 2 | −58881.58 | −58783.86 | y | 5 | 1.5 × 10−13 | Ohishi et al. (1994) | |
| Methanimine | H2CNH | 29.04 | 1 A1 | 1 | −59281.64 | −59188 52 | y | 150 | 2.3 ×10−8 | Neill et al. (2014) | |
| 31 | 6.7 × 10−10 | Halfen et al. (2013) | Lower values | ||||||||
| Nitric oxide | ·NO | 30.01 | 2∏1/2 | 2 | −81428.59 | −81321.35 | y | 180 | 3.3 ×10−7 | Neill et al. (2014) | |
| 50 | 2.1 × 10−7 | Neill et al. (2014) | |||||||||
| Methylamine | CH3 NH2 | 31.06 | 1A’ | 1 | −60036.23 | −59932.95 | y | 150 | 1.7 × 10−7 | Neill et al. (2014) | |
| 40 | 5.7×10−9 | Kaifu et al. (1974) | |||||||||
| Cyanomidyl radical | ·HNCN | 41.01 | 2A′′ | 2 | −92825.26 | −92687.76 | n | 8.7* | 9.1 × 10−11 | Rivilla et al. (2021) | Detected in G+0.693-0.027 |
| Fulminic acid | HCNO | 43.03 | 1 | −105655.10 | −105517.96 | n | 10 | 1.0 × 10−13 | Marcelino et al. (2018) | Detected in L1527 | |
| Cyanic acid | HOCN | 43.03 | 1A’ | 1 | −105699.18 | −105560 01 | y | 200 | 1.0 × 10−9 | Brünken et al. (2010) | |
| 14 | 9.7 × 10−10 | Brünken et al. (2010) | Lower values | ||||||||
| Isocyanic acid | HNCO | 43.03 | 1A’ | 1 | −105723.84 | −105584.59 | y | 150 | 1.0 × 10−8 | Neill et al. (2014) | |
| 20 | 2.67 × 10−9 | Brünken et al. (2010) | |||||||||
| Formamide | NH2CHO | 45.04 | 1A’ | 1 | −106469.43 | −106318.29 | y | 200 | 8.7×10−7 | Belloche et al. (2019) | |
| 26 | 2.3 × 10−10 | Halfen et al. (2001) | |||||||||
| Nitrous oxide | 1N2O | 44.01 | 1Σ+ | 1 | −115757.47 | −115618.28 | y | 50 | 7.3 × 10−9 | Nummelin et al. (2000) | |
| Isocyanogen | CNCN | 52.04 | 1Σ* | 1 | −116319.87 | −116168.90 | n | 10 | 2.3 × 10−12 | Agúndez et al. (2018) | Values for L483 |
| 10 | 1.3 × 10−12 | Agúndez et al. (2018) | Values for TMC-1 | ||||||||
| Urea* | CH4N2O | 60.06 | 1A1 | 1 | n/a | −224.651679 | y | 160 | 9.0 ×10−9 | Belloche et al. (2019) | Just as reference* |
Notes. (1) Chemical nomenclature. (2) Molecular mass (in amu). (3) Electronic state at ground state. (4) Spin multiplicity. (5) ETOT = UE (Electronic Energy)+ ZPVE (Zero Point Vibrational Energy), a) CCSDT-F12/cc-pVTZ-F12 (values in black), b) MP2/aug-cc-pVDZ (values in blue) in kcal mol−1. (6) Detected specie (y) or not detected (n) in Sgr B2(N). (7) Calculated rotational temperature (Trot) by the authors (in K). (8) n = density number of detected molecules in Sgr B2(N) (cm−3). (9) Publication of reference. (10) Some notes of interest.
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