List of interstellar and circumstellar molecules

This is a list of molecules that have been detected in the interstellar medium and circumstellar envelopes, grouped by the number of component atoms. The chemical formula is listed for each detected compound, along with any ionized form that has also been observed.

Background

The molecules listed below were detected through astronomical spectroscopy. Their spectral features arise because molecules either absorb or emit a photon of light when they transition between two molecular energy levels. The energy (and thus the wavelength) of the photon matches the energy difference between the levels involved. Molecular electronic transitions occur when one of the molecule's electrons moves between molecular orbitals, producing a spectral line in the ultraviolet, optical or near-infrared parts of the electromagnetic spectrum. Alternatively, a vibrational transition transfers quanta of energy to (or from) vibrations of molecular bonds, producing signatures in the mid- or far-infrared. Gas-phase molecules also have quantised rotational levels, leading to transitions at microwave or radio wavelengths.[1]

Sometimes a transition can involve more than one of these types of energy level e.g. ro-vibrational spectroscopy changes both the rotational and vibrational energy level. Occasionally all three occur together, as in the Phillips band of C2 (diatomic carbon), in which an electronic transition produces a line in the near-infrared, which is then split into several vibronic bands by a simultaneous change in vibrational level, which in turn are split again into rotational branches.[2]

The spectrum of a particular molecule is governed by the selection rules of quantum chemistry and by its molecular symmetry. Some molecules have simple spectra which are easy to identify, whilst others (even some small molecules) have extremely complex spectra with flux spread among many different lines, making them far harder to detect.[3] Interactions between the atomic nuclei and the electrons sometimes cause further hyperfine structure of the spectral lines. If the molecule exists in multiple isotopologues (versions containing different atomic isotopes), the spectrum is further complicated by isotope shifts.

Detection of a new interstellar or circumstellar molecule requires identifying a suitable astronomical object where it is likely to be present, then observing it with a telescope equipped with a spectrograph working at the required wavelength, spectral resolution and sensitivity. The first molecule detected in the interstellar medium was the methylidyne radical (CH•) in 1937, through its strong electronic transition at 4300 angstroms (in the optical).[4] Advances in astronomical instrumentation have led to increasing numbers of new detections. From the 1950s onwards, radio astronomy began to dominate new detections, with sub-mm astronomy also becoming important from the 1990s.[3]

The inventory of detected molecules is highly biased towards certain types which are easier to detect: e.g. radio astronomy is most sensitive to small linear molecules with a high molecular dipole.[3] The most common molecule in the Universe, H2 (molecular hydrogen), is completely invisible to radio telescopes because it has no dipole;[3] its electronic transitions are too energetic for optical telescopes, so detection of H2 required ultraviolet observations with a sounding rocket.[5] Vibrational lines are often not specific to an individual molecule, allowing only the general class to be identified. For example, the vibrational lines of polycyclic aromatic hydrocarbons (PAHs) were identified in 1984,[6] showing the class of molecules is very common in space,[7] but it took until 2021 to identify any specific PAHs through their rotational lines.[8][9]

One of the richest sources for detecting interstellar molecules is Sagittarius B2 (Sgr B2), a giant molecular cloud near the centre of the Milky Way. About half of the molecules listed below were first found in Sgr B2, and many of the others have been subsequently detected there.[10] A rich source of circumstellar molecules is CW Leonis (also known as IRC +10216), a nearby carbon star, where about 50 molecules have been identified.[11] There is no clear boundary between interstellar and circumstellar media, so both are included in the tables below.

The discipline of astrochemistry includes understanding how these molecules form and explaining their abundances. The extremely low density of the interstellar medium is not conducive to the formation of molecules, making conventional gas-phase reactions between neutral species (atoms or molecules) inefficient. Many regions also have very low temperatures (typically 10 kelvin inside a molecular cloud), further reducing the reaction rates, or high ultraviolet radiation fields, which destroy molecules through photochemistry.[12] Explaining the observed abundances of interstellar molecules requires calculating the balance between formation and destruction rates using gas-phase ion chemistry (often driven by cosmic rays), surface chemistry on cosmic dust, radiative transfer including interstellar extinction, and sophisticated reaction networks.[13] The use of molecular lines to determine the physical properties of astronomical objects is known as molecular astrophysics.

Molecules

The following tables list molecules that have been detected in the interstellar medium or circumstellar matter, grouped by the number of component atoms. Neutral molecules and their molecular ions are listed in separate columns; if there is no entry in the molecule column, only the ionized form has been detected. Designations (names of molecules) are those used in the scientific literature describing the detection; if none was given that field is left empty. Mass is listed in atomic mass units. Deuterated molecules, which contain at least one deuterium (2H) atom, have slightly different masses and are listed in a separate table. The total number of unique species, including distinct ionization states, is indicated in each section header.

Most of the molecules detected so far are organic. The only detected inorganic molecule with five or more atoms is SiH4.[14] Molecules larger than that all have at least one carbon atom, with no N−N or O−O bonds.[14]

Diatomic (43)
MoleculeDesignationMassIons
AlClAluminium monochloride[16] 62.5—
AlFAluminium monofluoride[17] 46—
AlOAluminium monoxide[18] 43—
—Argonium[19][20] 37[note 1]ArH+
C2Diatomic carbon[21][22] 24—
—Fluoromethylidynium 31CF+[23]
CHMethylidyne radical[24][25] 13CH+[26]
CNCyano radical[25][27][28] 26CN+,[29] CN−[30]
COCarbon monoxide[31][32] 28CO+[33]
CPCarbon monophosphide[28] 43—
CSCarbon monosulfide[34] 44—
FeOIron(II) oxide[35] 82—
—Helium hydride ion[36][37] 5HeH+
H2Molecular hydrogen[5] 2—
HClHydrogen chloride[38] 36.5HCl+[39]
HFHydrogen fluoride[40] 20—
HOHydroxyl radical[34] 17OH+[41]
KClPotassium chloride[16] 75.5—
NHImidogen radical[42][43] 15—
N2Molecular nitrogen[44][45] 28—
NONitric oxide[46] 30NO+[29]
NSNitrogen sulfide[34] 46—
NaClSodium chloride[16] 58.5—
—Magnesium monohydride cation 25.3MgH+[29]
O2Molecular oxygen[47] 32—
PNPhosphorus mononitride[48][49] 45—
POPhosphorus monoxide[50] 47—
SHSulfur monohydride[51] 33SH+[52]
SOSulfur monoxide[34] 48SO+[26]
SiCCarborundum[53] 40—
SiN–[54] 42—
SiOSilicon monoxide[34] 44—
SiSSilicon monosulfide[34] 60—
TiOTitanium(II) oxide[55] 63.9—

Triatomic (44)
MoleculeDesignationMassIons
AlNCAluminium isocyanide[34] 53—
AlOHAluminium hydroxide[58] 44—
C3Tricarbon[59][60] 36—
C2HEthynyl radical[27] 25—
CCNCyanomethylidyne[61] 38—
C2ODicarbon monoxide[62] 40—
C2SThioxoethenylidene[63] 56—
C2P—[64] 55—
CO2Carbon dioxide[65] 44—
CaNCCalcium isocyanide[66] 92—
FeCNIron cyanide[67] 82—
—Protonated molecular hydrogen 3H+
3[56][57]
H2CMethylene radical[68] 14—
—Chloronium 37.5H2Cl+[69]
H2OWater[70] 18H2O+[71]
HO2Hydroperoxyl[72] 33—
H2SHydrogen sulfide[34] 34—
HCNHydrogen cyanide[27][73] 27—
HNCHydrogen isocyanide[74][75] 27—
HCOFormyl radical[76] 29HCO+[26][76][77]
HCPPhosphaethyne[78] 44—
HCSThioformyl[79] 45HCS+[26][77]
—Diazenylium[77][26][80] 29HN+
2
HNONitroxyl[81] 31—
—Isoformyl 29HOC+[27]
HSCIsothioformyl[79] 45—
KCNPotassium cyanide[34] 65—
MgCNMagnesium cyanide[34] 50—
MgNCMagnesium isocyanide[34] 50—
NH2Amino radical[82] 16—
N2ONitrous oxide[83] 44—
NaCNSodium cyanide[34] 49—
NaOHSodium hydroxide[84] 40—
OCSCarbonyl sulfide[85] 60—
O3Ozone[86] 48—
SO2Sulfur dioxide[87] 64—
c-SiC2c-Silicon dicarbide[53] 52—
SiCSiDisilicon carbide[88] 68—
SiCNSilicon carbonitride[89] 54—
SiNC[90] 54—
TiO2Titanium dioxide[55] 79.9—

Four atoms (30)
MoleculeDesignationMassIons
CH3Methyl radical[92] 15CH+3[93]
l-C3HPropynylidyne[94] 37l-C3H+[95]
c-C3HCyclopropynylidyne[96] 37—
C3NCyanoethynyl[97] 50C3N−[98]
C3OTricarbon monoxide[94] 52—
C3STricarbon sulfide[63] 68—
—Hydronium 19H3O+[99]
C2H2Acetylene[100] 26—
H2CNMethylene amidogen[101] 28H2CN+[26]
H2NCAminocarbyne[102] 28—
H2COFormaldehyde[91] 30—
H2CSThioformaldehyde[103] 46—
HCCN—[104] 39—
HCCOKetenyl[105] 41—
—Protonated hydrogen cyanide 28HCNH+[77]
—Protonated carbon dioxide 45HOCO+[106]
HCNOFulminic acid[107] 43—
HOCNCyanic acid[108] 43—
CNCNIsocyanogen[109] 52—
HOOHHydrogen peroxide[110] 34—
HNCOIsocyanic acid[87] 43—
HNCNCyanomidyl radical[111] 41—
HNCSIsothiocyanic acid[112] 59—
NH3Ammonia[113] 17—
HSCNThiocyanic acid[114] 59—
SiC3Silicon tricarbide[34]  64—
HMgNCHydromagnesium isocyanide[115]  51.3—
HNO2Nitrous acid[116] 47—

Five atoms (20)
MoleculeDesignationMassIons
—Ammonium ion 18NH+
4[118][119]
CH4Methane[120] 16—
CH3OMethoxy radical[121] 31—
c-C3H2Cyclopropenylidene[27][122][123] 38—
l-H2C3Propadienylidene[123] 38—
H2CCNCyanomethyl[124] 40—
H2C2OKetene[87] 42—
H2CNHMethylenimine[125] 29—
HNCNHCarbodiimide[126] 42—
—Protonated formaldehyde 31H2COH+[127]
C4HButadiynyl[34] 49C4H−[128]
HC3NCyanoacetylene[27][77][129][130] 51—
HCC-NCIsocyanoacetylene[131] 51—
HCOOHFormic acid[132][129] 46—
NH2CNCyanamide[133][134] 42—
NH2OHHydroxylamine[135] 37—
—Protonated cyanogen 53NCCNH+[136]
HC(O)CNCyanoformaldehyde[137] 55—
C5Linear C5[138] 60—
SiC4Silicon-carbide cluster[53] 92—
SiH4Silane[139] 32—

Six atoms (16)
MoleculeDesignationMassIons
c-H2C3OCyclopropenone[141] 54—
E-HNCHCNE-Cyanomethanimine[142] 54—
C2H4Ethylene[143] 28—
CH3CNAcetonitrile[87][144][145] 40—
CH3NCMethyl isocyanide[144] 40—
CH3OHMethanol[87][146] 32—
CH3SHMethanethiol[147] 48—
l-H2C4Diacetylene[148] 50—
—Protonated cyanoacetylene 52HC3NH+[77]
HCONH2Formamide[140] 44—
HOCOOHCarbonic acid[149] —
C5HPentynylidyne[63] 61—
C5NCyanobutadiynyl radical[150] 74—
HC2CHOPropynal[151] 54—
HC4N—[34]  63—
CH2CNHKetenimine[122] 40—
C5S—[152] 92—

Seven atoms (13)
MoleculeDesignationMassIons
c-C2H4OEthylene oxide[154] 44—
CH3C2HMethylacetylene[27] 40—
H3CNH2Methylamine[155] 31—
CH2CHCNAcrylonitrile[87][144] 53—
HCCCHNHPropargylimine[156] 53—
H2CHCOHVinyl alcohol[153] 44—
C6HHexatriynyl radical[63] 73C6H−[123][157]
HC4CNCyanodiacetylene[87][130][144] 75—
HC4NCIsocyanodiacetylene[158] 75—
HC5O—[159] 77—
CH3CHOAcetaldehyde[154] 44—
CH3NCOMethyl isocyanate[160] 57—
HOCH2CNGlycolonitrile[161] 57—

Eight atoms (14)
MoleculeDesignationMass
H3CC2CNMethylcyanoacetylene[163] 65
HC3H2CNPropargyl cyanide[164] 65
H2COHCHOGlycolaldehyde[165] 60
(CHOH)21,2-ethenediol[166] 60
HCOOCH3Methyl formate[87][129] 60
CH3COOHAcetic acid[162] 60
H2C6Hexapentaenylidene[148] 74
CH2CHCHOPropenal[122] 56
CH2CCHCNCyanoallene[122][163] 65
CH3CHNHEthanimine[167] 43
C2H3NH2Vinylamine[168] 43
C7HHeptatrienyl radical[169] 85
NH2CH2CNAminoacetonitrile[170] 56
(NH2)2COUrea[171] 60

Nine atoms (10)
MoleculeDesignationMassIons
CH3C4HMethyldiacetylene[172] 64—
CH3OCH3Dimethyl ether[173] 46—
CH3CH2CNPropionitrile[87][144] 55—
CH3CONH2Acetamide[122][140][134] 59—
CH3CH2OHEthanol[174] 46—
C8HOctatetraynyl radical[175] 97C8H−[176][177]
HC7NCyanohexatriyne or Cyanotriacetylene[113][178][179] 99—
CH3CHCH2Propylene (propene)[180] 42—
CH3CH2SHEthyl mercaptan[181] 62—
CH3NHCHON-methylformamide[134]
A number of polyyne-derived chemicals are among the heaviest molecules found in the interstellar medium.

Ten or more atoms (22)
AtomsMoleculeDesignationMassIons
10(CH3)2COAcetone[87][182] 58—
10(CH2OH)2Ethylene glycol[183][184] 62—
10CH3CH2CHOPropanal[122] 58—
10CH3OCH2OHMethoxymethanol[185] 62—
10CH3C5NMethylcyanodiacetylene[122] 89—
10CH3CHCH2OPropylene oxide[186] 58—
11NH2CH2CH2OHEthanolamine[187] 61—
11HC8CNCyanotetraacetylene[178] 123—
11C2H5OCHOEthyl formate[188] 74—
11CH3COOCH3Methyl acetate[189] 74—
11CH3C6HMethyltriacetylene[122][172] 88—
12C6H6Benzene[148] 78—
12C3H7CNn-Propyl cyanide[188] 69—
12(CH3)2CHCNiso-Propyl cyanide[190][191] 69—
13CH3OCH2CH2OH2-methoxyethanol[192] 76—
13C
6H
5CN		Benzonitrile[193] 104—
13HC10CNCyanopentaacetylene[178] 147—
17C9H8Indene[9] 116—
19C10H7CN1-cyanonaphthalene[8] 153—
19C10H7CN2-cyanonaphthalene[8] 153—
27C11H12N2O2Tryptophan[194] —
60C60Buckminsterfullerene
(C60 fullerene)[195]		720C+
60[196][197][198]
70C70C70 fullerene[195]840—

Deuterated molecules (22)

These molecules all contain one or more deuterium atoms, a heavier isotope of hydrogen.

AtomsMoleculeDesignation
2HDHydrogen deuteride[199][200]
3H2D+, HD+
2		Trihydrogen cation[199][200]
3HDO, D2OHeavy water[201][202]
3DCNHydrogen cyanide[203]
3DCOFormyl radical[203]
3DNCHydrogen isocyanide[203]
3N2D+—[203] 
3NHD, ND2Amidogen[204] 
4NH2D, NHD2, ND3Ammonia[200][205][206]
4HDCO, D2COFormaldehyde[200][207]
4DNCOIsocyanic acid[208]
5NH3D+Ammonium ion[209][210]
6NH
2CDO; NHDCHO		Formamide[208]
7CH2DCCH, CH3CCDMethylacetylene[211][212]

Unconfirmed (13)

Evidence for the existence of the following molecules has been reported in the scientific literature, but the detections either are described as tentative by the authors, or have been challenged by other researchers. They await independent confirmation.

AtomsMoleculeDesignation
2SiHSilylidine[74]
4PH3Phosphine[213]
4MgCCHMagnesium monoacetylide[152]
4NCCPCyanophosphaethyne[152]
5H2NCO+—[214]
6SiH3CNSilyl cyanide[152]
10H2NCH2COOHGlycine[215][216]
10C2H5NH2Ethylamine[168]
12CO(CH2OH)2Dihydroxyacetone[217][218]
12C2H5OCH3Ethyl methyl ether[219]
18C
10H+
8		Naphthalene cation[220]
24C24Graphene[221]
24C14H10Anthracene[222][223]
26C16H10Pyrene[222]

See also

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Notes
  1. On Earth, the dominant isotope of argon is 40Ar, so ArH+ would have a mass of 41 amu. However, the interstellar detection was of the 36ArH+ isotopologue, which has a mass of 37 amu.


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