List of interstellar and circumstellar molecules

Infrared spectrum of HH 46/47 (image in inset), with vibrational bands of several molecules labelled in colour

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

Idealised example of the rotational spectrum (bottom) produced by transitions between different rotational energy levels (top) of a simple linear molecule. ${\displaystyle B}$ is the rotational constant of the molecule, ${\displaystyle J}$ is the rotational quantum number, ${\displaystyle J'}$ is the upper level and ${\displaystyle J''}$ is the lower level.

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. For example, 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]

The carbon star CW Leonis. The visible shells of circumstellar material were ejected by the central star over thousands of years.

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]

Carbon monoxide is frequently used to trace the distribution of mass in molecular clouds.^[15]

Diatomic (43)

Molecule	Designation	Mass	Ions
AlCl	Aluminium monochloride[16]	62.5	—
AlF	Aluminium monofluoride[17]	46	—
AlO	Aluminium monoxide[18]	43	—
—	Argonium[19][20]	37[note 1]	ArH^+
C2	Diatomic carbon[21][22]	24	—
—	Fluoromethylidynium	31	CF^+[23]
CH	Methylidyne radical[24][25]	13	CH^+[26]
CN	Cyano radical[25][27][28]	26	CN^+,[29] CN^−[30]
CO	Carbon monoxide[31][32]	28	CO^+[33]
CP	Carbon monophosphide[28]	43	—
CS	Carbon monosulfide[34]	44	—
FeO	Iron(II) oxide[35]	82	—
—	Helium hydride ion[36][37]	5	HeH^+
H2	Molecular hydrogen[5]	2	—
HCl	Hydrogen chloride[38]	36.5	HCl^+[39]
HF	Hydrogen fluoride[40]	20	—
HO	Hydroxyl radical[34]	17	OH^+[41]
KCl	Potassium chloride[16]	75.5	—
NH	Imidogen radical[42][43]	15	—
N2	Molecular nitrogen[44][45]	28	—
NO	Nitric oxide[46]	30	NO^+[29]
NS	Nitrogen sulfide[34]	46	—
NaCl	Sodium chloride[16]	58.5	—
—	Magnesium monohydride cation	25.3	MgH^+[29]
O2	Molecular oxygen[47]	32	—
PN	Phosphorus mononitride[48][49]	45	—
PO	Phosphorus monoxide[50]	47	—
SH	Sulfur monohydride[51]	33	SH^+[52]
SO	Sulfur monoxide[34]	48	SO^+[26]
SiC	Carborundum[53]	40	—
SiN	–[54]	42	—
SiO	Silicon monoxide[34]	44	—
SiS	Silicon monosulfide[34]	60	—
TiO	Titanium(II) oxide[55]	63.9	—

The H⁺
₃ cation is one of the most abundant ions in the universe. It was first detected in 1993.^[56][57]

Triatomic (44)

Molecule	Designation	Mass	Ions
AlNC	Aluminium isocyanide[34]	53	—
AlOH	Aluminium hydroxide[58]	44	—
C3	Tricarbon[59][60]	36	—
C2H	Ethynyl radical[27]	25	—
CCN	Cyanomethylidyne[61]	38	—
C2O	Dicarbon monoxide[62]	40	—
C2S	Thioxoethenylidene[63]	56	—
C2P	—[64]	55	—
CO2	Carbon dioxide[65]	44	—
CaNC	Calcium isocyanide[66]	92	—
FeCN	Iron cyanide[67]	82	—
—	Protonated molecular hydrogen	3	H^+ 3[56][57]
H2C	Methylene radical[68]	14	—
—	Chloronium	37.5	H2Cl^+[69]
H2O	Water[70]	18	H2O^+[71]
HO2	Hydroperoxyl[72]	33	—
H2S	Hydrogen sulfide[34]	34	—
HCN	Hydrogen cyanide[27][73]	27	—
HNC	Hydrogen isocyanide[74][75]	27	—
HCO	Formyl radical[76]	29	HCO^+[26][76][77]
HCP	Phosphaethyne[78]	44	—
HCS	Thioformyl[79]	45	HCS^+[26][77]
—	Diazenylium[77][26][80]	29	HN^+ 2
HNO	Nitroxyl[81]	31	—
—	Isoformyl	29	HOC^+[27]
HSC	Isothioformyl[79]	45	—
KCN	Potassium cyanide[34]	65	—
MgCN	Magnesium cyanide[34]	50	—
MgNC	Magnesium isocyanide[34]	50	—
NH2	Amino radical[82]	16	—
N2O	Nitrous oxide[83]	44	—
NaCN	Sodium cyanide[34]	49	—
NaOH	Sodium hydroxide[84]	40	—
OCS	Carbonyl sulfide[85]	60	—
O3	Ozone[86]	48	—
SO2	Sulfur dioxide[87]	64	—
c-SiC2	c-Silicon dicarbide[53]	52	—
SiCSi	Disilicon carbide[88]	68	—
SiCN	Silicon carbonitride[89]	54	—
SiNC	[90]	54	—
TiO2	Titanium dioxide[55]	79.9	—

Formaldehyde is an organic molecule that is widely distributed in the interstellar medium.^[91]

Four atoms (30)

Molecule	Designation	Mass	Ions
CH3	Methyl radical[92]	15	CH+3[93]
l-C3H	Propynylidyne[94]	37	l-C3H^+[95]
c-C3H	Cyclopropynylidyne[96]	37	—
C3N	Cyanoethynyl[97]	50	C3N^−[98]
C3O	Tricarbon monoxide[94]	52	—
C3S	Tricarbon sulfide[63]	68	—
—	Hydronium	19	H3O^+[99]
C2H2	Acetylene[100]	26	—
H2CN	Methylene amidogen[101]	28	H2CN^+[26]
H2NC	Aminocarbyne[102]	28	—
H2CO	Formaldehyde[91]	30	—
H2CS	Thioformaldehyde[103]	46	—
HCCN	—[104]	39	—
HCCO	Ketenyl[105]	41	—
—	Protonated hydrogen cyanide	28	HCNH^+[77]
—	Protonated carbon dioxide	45	HOCO^+[106]
HCNO	Fulminic acid[107]	43	—
HOCN	Cyanic acid[108]	43	—
CNCN	Isocyanogen[109]	52	—
HOOH	Hydrogen peroxide[110]	34	—
HNCO	Isocyanic acid[87]	43	—
HNCN	Cyanomidyl radical[111]	41	—
HNCS	Isothiocyanic acid[112]	59	—
NH3	Ammonia[113]	17	—
HSCN	Thiocyanic acid[114]	59	—
SiC3	Silicon tricarbide[34]	64	—
HMgNC	Hydromagnesium isocyanide[115]	51.3	—
HNO2	Nitrous acid[116]	47	—

Methane, the primary component of natural gas, has also been detected on comets and in the atmosphere of several planets in the Solar System.^[117]

Five atoms (20)

Molecule	Designation	Mass	Ions
—	Ammonium ion	18	NH^+ 4[118][119]
CH4	Methane[120]	16	—
CH3O	Methoxy radical[121]	31	—
c-C3H2	Cyclopropenylidene[27][122][123]	38	—
l-H2C3	Propadienylidene[123]	38	—
H2CCN	Cyanomethyl[124]	40	—
H2C2O	Ketene[87]	42	—
H2CNH	Methylenimine[125]	29	—
HNCNH	Carbodiimide[126]	42	—
—	Protonated formaldehyde	31	H2COH^+[127]
C4H	Butadiynyl[34]	49	C4H^−[128]
HC3N	Cyanoacetylene[27][77][129][130]	51	—
HCC-NC	Isocyanoacetylene[131]	51	—
HCOOH	Formic acid[132][129]	46	—
NH2CN	Cyanamide[133][134]	42	—
NH2OH	Hydroxylamine[135]	37	—
—	Protonated cyanogen	53	NCCNH^+[136]
HC(O)CN	Cyanoformaldehyde[137]	55	—
C5	Linear C5[138]	60	—
SiC4	Silicon-carbide cluster[53]	92	—
SiH4	Silane[139]	32	—

In the ISM, formamide (above) can combine with methylene to form acetamide.^[140]

Six atoms (16)

Molecule	Designation	Mass	Ions
c-H2C3O	Cyclopropenone[141]	54	—
E-HNCHCN	E-Cyanomethanimine[142]	54	—
C2H4	Ethylene[143]	28	—
CH3CN	Acetonitrile[87][144][145]	40	—
CH3NC	Methyl isocyanide[144]	40	—
CH3OH	Methanol[87][146]	32	—
CH3SH	Methanethiol[147]	48	—
l-H2C4	Diacetylene[148]	50	—
—	Protonated cyanoacetylene	52	HC3NH^+[77]
HCONH2	Formamide[140]	44	—
HOCOOH	Carbonic acid[149]		—
C5H	Pentynylidyne[63]	61	—
C5N	Cyanobutadiynyl radical[150]	74	—
HC2CHO	Propynal[151]	54	—
HC4N	—[34]	63	—
CH2CNH	Ketenimine[122]	40	—
C5S	—[152]	92	—

Acetaldehyde (above) and its isomers vinyl alcohol and ethylene oxide have all been detected in interstellar space.^[153]

Seven atoms (13)

Molecule	Designation	Mass	Ions
c-C2H4O	Ethylene oxide[154]	44	—
CH3C2H	Methylacetylene[27]	40	—
H3CNH2	Methylamine[155]	31	—
CH2CHCN	Acrylonitrile[87][144]	53	—
HCCCHNH	Propargylimine[156]	53	—
H2CHCOH	Vinyl alcohol[153]	44	—
C6H	Hexatriynyl radical[63]	73	C6H^−[123][157]
HC4CN	Cyanodiacetylene[87][130][144]	75	—
HC4NC	Isocyanodiacetylene[158]	75	—
HC5O	—[159]	77	—
CH3CHO	Acetaldehyde[154]	44	—
CH3NCO	Methyl isocyanate[160]	57	—
HOCH2CN	Glycolonitrile[161]	57	—

The radio signature of acetic acid, a compound found in vinegar, was confirmed in 1997.^[162]

Eight atoms (14)

Molecule	Designation	Mass
H3CC2CN	Methylcyanoacetylene[163]	65
HC3H2CN	Propargyl cyanide[164]	65
H2COHCHO	Glycolaldehyde[165]	60
(CHOH)2	1,2-ethenediol[166]	60
HCOOCH3	Methyl formate[87][129]	60
CH3COOH	Acetic acid[162]	60
H2C6	Hexapentaenylidene[148]	74
CH2CHCHO	Propenal[122]	56
CH2CCHCN	Cyanoallene[122][163]	65
CH3CHNH	Ethanimine[167]	43
C2H3NH2	Vinylamine[168]	43
C7H	Heptatrienyl radical[169]	85
NH2CH2CN	Aminoacetonitrile[170]	56
(NH2)2CO	Urea[171]	60

Nine atoms (10)

Molecule	Designation	Mass	Ions
CH3C4H	Methyldiacetylene[172]	64	—
CH3OCH3	Dimethyl ether[173]	46	—
CH3CH2CN	Propionitrile[87][144]	55	—
CH3CONH2	Acetamide[122][140][134]	59	—
CH3CH2OH	Ethanol[174]	46	—
C8H	Octatetraynyl radical[175]	97	C8H^−[176][177]
HC7N	Cyanohexatriyne or Cyanotriacetylene[113][178][179]	99	—
CH3CHCH2	Propylene (propene)[180]	42	—
CH3CH2SH	Ethyl mercaptan[181]	62	—
CH3NHCHO	N-methylformamide[134]

A number of polyyne-derived chemicals are among the heaviest molecules found in the interstellar medium.

Ten or more atoms (23)

Atoms	Molecule	Designation	Mass	Ions
10	(CH3)2CO	Acetone[87][182]	58	—
10	(CH2OH)2	Ethylene glycol[183][184]	62	—
10	CH3CH2CHO	Propanal[122]	58	—
10	CH3OCH2OH	Methoxymethanol[185]	62	—
10	CH3C5N	Methylcyanodiacetylene[122]	89	—
10	CH3CHCH2O	Propylene oxide[186]	58	—
11	NH2CH2CH2OH	Ethanolamine[187]	61	—
11	HC8CN	Cyanotetraacetylene[178]	123	—
11	C2H5OCHO	Ethyl formate[188]	74	—
11	CH3COOCH3	Methyl acetate[189]	74	—
11	CH3C6H	Methyltriacetylene[122][172]	88	—
12	C6H6	Benzene[148]	78	—
12	C3H7CN	n-Propyl cyanide[188]	69	—
12	(CH3)2CHCN	iso-Propyl cyanide[190][191]	69	—
13	CH3OCH2CH2OH	2-methoxyethanol[192]	76	—
13	C 6H 5CN	Benzonitrile[193]	104	—
13	HC10CN	Cyanopentaacetylene[178]	147	—
17	C9H8	Indene[9]	116	—
19	C10H7CN	1-cyanonaphthalene[8]	153	—
19	C10H7CN	2-cyanonaphthalene[8]	153	—
60	C60	Buckminsterfullerene (C60 fullerene)[194]	720	C^+ 60[195][196][197]
70	C70	C70 fullerene[194]	840	—

Deuterated molecules (22)

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

Atoms	Molecule	Designation
2	HD	Hydrogen deuteride[198][199]
3	H2D^+, HD^+ 2	Trihydrogen cation[198][199]
3	HDO, D2O	Heavy water[200][201]
3	DCN	Hydrogen cyanide[202]
3	DCO	Formyl radical[202]
3	DNC	Hydrogen isocyanide[202]
3	N2D^+	—[202]
3	NHD, ND2	Amidogen[203]
4	NH2D, NHD2, ND3	Ammonia[199][204][205]
4	HDCO, D2CO	Formaldehyde[199][206]
4	DNCO	Isocyanic acid[207]
5	NH3D^+	Ammonium ion[208][209]
6	NH 2CDO; NHDCHO	Formamide[207]
7	CH2DCCH, CH3CCD	Methylacetylene[210][211]

Unconfirmed (15)

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.

Atoms	Molecule	Designation
2	SiH	Silylidine[74]
4	PH3	Phosphine[212]
4	MgCCH	Magnesium monoacetylide[152]
4	NCCP	Cyanophosphaethyne[152]
5	H2NCO^+	—[213]
6	SiH3CN	Silyl cyanide[152]
10	H2NCH2COOH	Glycine[214][215]
10	C2H5NH2	Ethylamine[168]
12	CO(CH2OH)2	Dihydroxyacetone[216][217]
12	C2H5OCH3	Ethyl methyl ether[218]
18	C 10H^+ 8	Naphthalene cation[219]
24	C24	Graphene[220]
24	C14H10	Anthracene[221][222]
26	C16H10	Pyrene[221]
27	C11H12N2O2	Tryptophan[223][224][225]

See also

• Astrochemistry
• Cosmic dust
• Diffuse interstellar band
• Lists of molecules
• Molecular astrophysics
• Molecular spectroscopy
• Molecules in stars
• Polycyclic aromatic hydrocarbon (PAH)
• Tholin

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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External links

• Woon, David E. (October 1, 2010). "Interstellar and Circumstellar Molecules". Retrieved 2010-10-04.
• "Molecules in Space". Universität zu Köln. April 2022. Retrieved 2022-05-25.
• Dworkin, Jason P. (February 1, 2007). "Interstellar Molecules". NASA's Cosmic Ice Lab. Retrieved 2010-12-23.
• Wootten, Al (November 2005). "The 129 reported interstellar and circumstellar molecules". National Radio Astronomy Observatory. Retrieved 2007-02-13.
• Lovas, F. J.; Dragoset, R. A. (February 2004). "NIST Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions, 2002 Revision". Journal of Physical and Chemical Reference Data. 33 (1): 177. Bibcode:2004JPCRD..33..177L. doi:10.1063/1.1633275. Archived from the original on 2013-02-01. Retrieved 2007-02-13.
• Williams, David A.; Cecchi-Pestellini, Cesare (8 February 2023). Astrochemistry: Chemistry in Interstellar and Circumstellar Space. Royal Society of Chemistry. ISBN 978-1-83916-939-7.