Metallic species in the interstellar medium: Astrochemical modeling

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Table A.2

Enthalpies of formation for the species considered in this work.

Species	Δ_fH⁰ (298 K) (kJ/mol)	Species	Δ_fH⁰ (298 K) (kJ/mol)
Na-related species		Mg-related species
Na	107.5	Mg	147.1
NaH	124.27	MgH	169.03
NaO	83.68	MgO	58.16
NaC	645.52^a	MgC	725.58^a
NaN	461.04^a	MgN	288.7
NaOH	−197.76	MgOH	−164.76
NaCN	92.47	MgCN	299.17^a
NaNC	162.67^a	MgNC	290.1^a
NaC₂H	98.4	MgC₂H	438.8^a
NaC₄H	559.9^a	MgC₄H	672.73^a
NaCl	−181.42	MgS	145.23^a
	Fe-related species	HMgNC	219.19^a
Fe	415.47	MgH₂	161.02^a
FeO	251.04	MgC₃N	569.58^a
FeS	370.77		K-related species
	Al-related species	K	89
Al	330	KH	123.01
AlH	259.41	KCl	−214.68
AlO	66.94	KCN	79.5
AlF	−265.68		Si-related species
AlCl	−51.46	Si	450
AlCN	315.86^a	SiH	376.66
	Other species	SiO	−100.42
O	249.18	SiN	372.38
H	218	SiC	719.65
S	276.98	HCSi	689.47^a
Cl	121.3	SiH₂	271.68^a
N	472.68	SiH₄	34.31
O₂	2.77^a	SiH₃	197.47^a
H₂	−1.44^a		Other species
H2O	−241.83	SO	5.01
HCO	43.51	OH	38.99
HCN	135.14	CO	−110.53
OCN	124.11^a	CH	594.13
C₂H	476.98	CN	435.14
CH₂	386.39	NO	90.29
C₄H	807.74^a	HS	139.33
HC₃N	354	CS	280.33
HC₅N	641.29^a	CO₂	−393.51
SO₂	−296.81	H₂S	−20.6
C	716.68	S₂	128.6
SiS	106

Notes. The values are taken from the NIST Chemistry WebBook or the SRD 69 gas-phase thermochemistry database if available. ^aThis work considering DFT-B3LYP/6-311+G(d,p) level of theory.

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