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List of interstellar and circumstellar molecules
Molecules detected in space

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.5

The inventory of detected molecules is highly biased towards certain types which are easier to detect. For example, radio astronomy is most sensitive to small linear molecules with a high molecular dipole.6 The most common molecule in the Universe, H2 (molecular hydrogen), is completely invisible to radio telescopes because it has no dipole;7 its electronic transitions are too energetic for optical telescopes, so detection of H2 required ultraviolet observations with a sounding rocket.8 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 1984,9 showing the class of molecules is very common in space,10 but it took until 2021 to identify any specific PAHs through their rotational lines.1112

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.13 Many of the largest molecules were first detected in another molecular cloud, TMC-1. 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.14 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.15 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.16 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 SiH4.17 Molecules larger than that all have at least one carbon atom, with no N−N or O−O bonds.18

Diatomic (45)

MoleculeDesignationMassIons
AlClAluminium monochloride1962.5
AlFAluminium monofluoride2046
AlOAluminium monoxide2143
Argonium22233724ArH+
C2Diatomic carbon252624
Fluoromethylidynium31CF+27
CHMethylidyne radical282913CH+30
CNCyano radical31323326CN+,34 CN−35
COCarbon monoxide363728CO+38
CPCarbon monophosphide3943
CSCarbon monosulfide4044
FeOIron(II) oxide4182
Helium hydride ion42435HeH+
H2Molecular hydrogen442
HClHydrogen chloride4536.5HCl+46
HFHydrogen fluoride4720
HOHydroxyl radical4817OH+49
KClPotassium chloride5075.5
NHImidogen radical515215
N2Molecular nitrogen535428
NONitric oxide5530NO+56
NSNitrogen sulfide5746
NaClSodium chloride5858.5
Magnesium monohydride cation25.3MgH+59[dubious – discuss]
O2Molecular oxygen6032
PNPhosphorus mononitride616245
POPhosphorus monoxide6347
SHSulfur monohydride6433SH+65
SOSulfur monoxide6648SO+67
SiCCarborundum6840
SiN6942
SiOSilicon monoxide7044
NaSSodium sulfide7155
MgSMagnesium sulfide7256
SiSSilicon monosulfide7360
TiOTitanium(II) oxide746475

Triatomic (45)

MoleculeDesignationMassIons
AlNCAluminium isocyanide7653
AlOHAluminium hydroxide7744
C3Tricarbon787936
C2HEthynyl radical8025
CCNCyanomethylidyne8138
C2ODicarbon monoxide8240
C2SThioxoethenylidene8356
C2P8455
CO2Carbon dioxide8544
CaNCCalcium isocyanide8692
FeCNIron(I) cyanide8782
Protonated molecular hydrogen3H+38889
H2CMethylene radical9014
Chloronium37.5H2Cl+91
H2OWater9218H2O+93
HO2Hydroperoxyl9433
H2SHydrogen sulfide9534
HCNHydrogen cyanide969727
HNCHydrogen isocyanide989927
HCOFormyl radical10029HCO+101102103
HCPPhosphaethyne10444
HCSThioformyl10545HCS+106107
Diazenylium10810911029HN+2
HNONitroxyl11131
Isoformyl29HOC+112
HSCIsothioformyl11345
KCNPotassium cyanide11465
MgCNMagnesium cyanide11550
MgNCMagnesium isocyanide11650
NH2Amino radical11716
N2ONitrous oxide11844
NaCNSodium cyanide11949
NaOHSodium hydroxide12040
OCSCarbonyl sulfide12160
O3Ozone12248
SO2Sulfur dioxide12364
c-SiC2c-Silicon dicarbide12452
SiCSiDisilicon carbide12568
SiCNSilicon carbonitride12654
SiNC12754
CaC2Calcium dicarbide12864
TiO2Titanium dioxide12979.9

Four atoms (31)

MoleculeDesignationMassIons
CH3Methyl radical13015CH+3131
l-C3HPropynylidyne13237l-C3H+133
c-C3HCyclopropynylidyne13437
C3NCyanoethynyl13550C3N−136
C3OTricarbon monoxide13752
C3STricarbon sulfide13868
Hydronium19H3O+139
C2H2Acetylene14026
H2CNMethylene amidogen14128H2CN+142
H2NCAminocarbyne14328
H2COFormaldehyde14430
H2CSThioformaldehyde14546
HCCN14639
HCCOKetenyl14741
Protonated hydrogen cyanide28HCNH+148
Protonated carbon dioxide45HOCO+149
HCNOFulminic acid15043
HOCNCyanic acid15143
CNCNIsocyanogen15252
HOOHHydrogen peroxide15334
HNCOIsocyanic acid15443
HNCNCyanomidyl radical15541
HNCSIsothiocyanic acid15659
NH3Ammonia15717
HSCNThiocyanic acid15859
HNSOThionylimide15963
SiC3Silicon tricarbide16064
HMgNCHydromagnesium isocyanide16151.3
HNO2Nitrous acid16247

Five atoms (21)

MoleculeDesignationMassIons
Ammonium ion18NH+4163164
CH4Methane16516
CH3OMethoxy radical16631
c-C3H2Cyclopropenylidene16716816938
l-H2C3Propadienylidene17038
H2CCNCyanomethyl17140
H2C2OKetene17242
H2CNHMethylenimine17329
HNCNHCarbodiimide17442
Protonated formaldehyde31H2COH+175
C4HButadiynyl17649C4H−177
HC3NCyanoacetylene17817918018151
HCC-NCIsocyanoacetylene18251
HCOOHFormic acid18318446
NH2CNCyanamide18518642
NH2OHHydroxylamine18737
Protonated cyanogen53NCCNH+188
HC(O)CNCyanoformaldehyde18955
C5Linear C519060
HCS2Hdithioformic acid19178
SiC4Silicon-carbide cluster19292
SiH4Silane19332

Six atoms (16)

MoleculeDesignationMassIons
c-H2C3OCyclopropenone19454
E-HNCHCNE-Cyanomethanimine19554
C2H4Ethylene19628
CH3CNAcetonitrile19719819940
CH3NCMethyl isocyanide20040
CH3OHMethanol20120232
CH3SHMethanethiol20348
l-H2C4Diacetylene20450
Protonated cyanoacetylene52HC3NH+205
HCONH2Formamide20644
HOCOOHCarbonic acid207
C5HPentynylidyne20861
C5NCyanobutadiynyl radical20974
HC2CHOPropynal21054
HC4N211 63
CH2CNHKetenimine21240
C5S—[156]92

Seven atoms (16)

MoleculeDesignationMassIons
c-C2H4OEthylene oxide21344
CH3C2HMethylacetylene21440
H3CNH2Methylamine21531
CH2CHCNAcrylonitrile21621753
HCCCHNHPropargylimine21853
H2CHCOHVinyl alcohol21944
C6HHexatriynyl radical22073C6H−221222
HC4CNCyanodiacetylene22322422575
HC4NCIsocyanodiacetylene22675
HC5O22777
CH3CHOAcetaldehyde22844
CH3CHSThioacetaldehyde22960
CH3NCOMethyl isocyanate23057
HOCH2CNGlycolonitrile23157
HC3HCN1-cyano propargyl radical23264
CH2C3N3-cyano propargyl radical23364

Eight atoms (14)

MoleculeDesignationMass
H3CC2CNMethylcyanoacetylene23465
HC3H2CNPropargyl cyanide23565
H2COHCHOGlycolaldehyde23660
(CHOH)21,2-ethenediol23760
HCOOCH3Methyl formate23823960
CH3COOHAcetic acid24060
H2C6Hexapentaenylidene24174
CH2CHCHOPropenal24256
CH2CCHCNCyanoallene24324465
CH3CHNHEthanimine24543
C2H3NH2Vinylamine24643
C7HHeptatrienyl radical24785
NH2CH2CNAminoacetonitrile24856
(NH2)2COUrea24960

Nine atoms (11)

MoleculeDesignationMassIons
CH3C4HMethyldiacetylene25064
CH3OCH3Dimethyl ether25146
CH3CH2CNPropionitrile25225355
CH3CONH2Acetamide25425525659
CH3CH2OHEthanol25746
C8HOctatetraynyl radical25897C8H−259260
HC7NCyanohexatriyne or Cyanotriacetylene26126226399
CH3CHCH2Propylene (propene)26442
CH3CH2SHEthyl mercaptan26562
CH3SCH3Dimethyl sulfide26662
CH3NHCHON-methylformamide26759

Ten or more atoms (24)

AtomsMoleculeDesignationMassIons
10(CH3)2COAcetone26826958
10(CH2OH)2Ethylene glycol27027162
10CH3CH2CHOPropanal27258
10CH3OCH2OHMethoxymethanol27362
10CH3C5NMethylcyanodiacetylene27489
10CH3CHCH2OPropylene oxide27558
11NH2CH2CH2OHEthanolamine27661
11HC8CNCyanotetraacetylene277123
11C2H5OCHOEthyl formate27874
11CH3COOCH3Methyl acetate27974
11CH3C6HMethyltriacetylene28028188
12C6H6Benzene28278
12C3H7CNn-Propyl cyanide28369
12(CH3)2CHCNiso-Propyl cyanide28428569
13CH3OCH2CH2OH2-methoxyethanol28676
13C6H5CNBenzonitrile287104
13HC10CNCyanopentaacetylene288147
17C9H8Indene289116
19C10H7CN1-cyanonaphthalene290153
19C10H7CN2-cyanonaphthalene291153
21C12H7CN1-cyanoacenaphtylene292177
21C12H7CN5-cyanoacenaphtylene293177
27C16H9CN1-cyanopyrene294227
27C16H9CN2-cyanopyrene295227
27C16H9CN4-cyanopyrene296227
37C24H11CNcyanocoronene297325
60C60Buckminsterfullerene(C60 fullerene)298720C+60299300301
70C70C70 fullerene302840

Deuterated molecules (22)

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

AtomsMoleculeDesignation
2HDHydrogen deuteride303304
3H2D+, HD+2Trihydrogen cation305306
3HDO, D2OHeavy water307308
3DCNHydrogen cyanide309
3DCOFormyl radical310
3DNCHydrogen isocyanide311
3N2D+312 
3NHD, ND2Amidogen313 
4NH2D, NHD2, ND3Ammonia314315316
4HDCO, D2COFormaldehyde317318
4DNCOIsocyanic acid319
5NH3D+Ammonium ion320321
6NH2CDO; NHDCHOFormamide322
7CH2DCCH, CH3CCDMethylacetylene323324

Unconfirmed (16)

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
2SiHSilylidine325
2CaOCalcium oxide326
4PH3Phosphine327
4MgCCHMagnesium monoacetylide[156]
4NCCPCyanophosphaethyne[156]
5H2NCO+328
6SiH3CNSilyl cyanide[156]
10H2NCH2COOHGlycine329330
10C2H5NH2Ethylamine331
12CO(CH2OH)2Dihydroxyacetone332333
12C2H5OCH3Ethyl methyl ether334
18C10H+8Naphthalene cation335
24C24Graphene336
24C14H10Anthracene337338
26C16H10Pyrene339
27C11H12N2O2Tryptophan340341342

See also

Notes

References

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