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. B {\displaystyle B} is the rotational constant of the molecule, J {\displaystyle J} is the rotational quantum number, J ′ {\displaystyle J'} is the upper level and J ″ {\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.

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.

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. 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). 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.

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. The most common molecule in the Universe, H2 (molecular hydrogen), is completely invisible to radio telescopes because it has no dipole; its electronic transitions are too energetic for optical telescopes, so detection of H2 required ultraviolet observations with a sounding rocket. 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, showing the class of molecules is very common in space, but it took until 2021 to identify any specific PAHs through their rotational lines.

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. 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. 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. 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. 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 daltons. 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. Molecules larger than that all have at least one carbon atom, with no N−N or O−O bonds.

Diatomic (45)

Carbon monoxide is frequently used to trace the distribution of mass in molecular clouds.
MoleculeDesignationMassIons
AlClAluminium monochloride62.5
AlFAluminium monofluoride46
AlOAluminium monoxide43
Argonium37ArH+
C2Diatomic carbon24
Fluoromethylidynium31CF+
CHMethylidyne radical13CH+
CNCyano radical26CN+, CN−
COCarbon monoxide28CO+
CPCarbon monophosphide43
CSCarbon monosulfide44
FeOIron(II) oxide82
Helium hydride ion5HeH+
H2Molecular hydrogen2
HClHydrogen chloride36.5HCl+
HFHydrogen fluoride20
HOHydroxyl radical17OH+
KClPotassium chloride75.5
NHImidogen radical15
N2Molecular nitrogen28
NONitric oxide30NO+
NSNitrogen sulfide46
NaClSodium chloride58.5
Magnesium monohydride cation25.3MgH+[page needed][dubious – discuss]
O2Molecular oxygen32
PNPhosphorus mononitride45
POPhosphorus monoxide47
SHSulfur monohydride33SH+
SOSulfur monoxide48SO+
SiCCarborundum40
SiN42
SiOSilicon monoxide44
NaSSodium sulfide55
MgSMagnesium sulfide56
SiSSilicon monosulfide60
TiOTitanium(II) oxide64

Triatomic (45)

The H+ 3 cation is one of the most abundant ions in the universe. It was first detected in 1993.
MoleculeDesignationMassIons
AlNCAluminium isocyanide53
AlOHAluminium hydroxide44
C3Tricarbon36
C2HEthynyl radical25
CCNCyanomethylidyne38
C2ODicarbon monoxide40
C2SThioxoethenylidene56
C2P55
CO2Carbon dioxide44
CaNCCalcium(I) isocyanide66
FeCNIron(I) cyanide82
Protonated molecular hydrogen3H+ 3
H2CMethylene radical14
Chloronium37.5H2Cl+
H2OWater18H2O+
HO2Hydroperoxyl33
H2SHydrogen sulfide34
HCNHydrogen cyanide27
HNCHydrogen isocyanide27
HCOFormyl radical29HCO+
HCPPhosphaethyne44
HCSThioformyl45HCS+
Diazenylium29HN+ 2
HNONitroxyl31
Isoformyl29HOC+
HSCIsothioformyl45
KCNPotassium cyanide65
MgCNMagnesium(I) cyanide50
MgNCMagnesium(I) isocyanide50
NH2Amino radical16
N2ONitrous oxide44
NaCNSodium cyanide49
NaOHSodium hydroxide40
OCSCarbonyl sulfide60
O3Ozone48
SO2Sulfur dioxide64
c-SiC2c-Silicon dicarbide52
SiCSiDisilicon carbide68
SiCNSilicon carbonitride54
SiNC54
CaC2Calcium dicarbide64
TiO2Titanium dioxide79.9

Four atoms (31)

Formaldehyde is an organic molecule that is widely distributed in the interstellar medium.
MoleculeDesignationMassIons
CH3Methyl radical15CH+3
l-C3HPropynylidyne37l-C3H+
c-C3HCyclopropynylidyne37
C3NCyanoethynyl50C3N−
C3OTricarbon monoxide52
C3STricarbon sulfide68
Hydronium19H3O+
C2H2Acetylene26
H2CNMethylene amidogen28H2CN+
H2NCAminocarbyne28
H2COFormaldehyde30
H2CSThioformaldehyde46
HCCN39
HCCOKetenyl41
Protonated hydrogen cyanide28HCNH+
Protonated carbon dioxide45HOCO+
HCNOFulminic acid43
HOCNCyanic acid43
CNCNIsocyanogen52
HOOHHydrogen peroxide34
HNCOIsocyanic acid43
HNCNCyanomidyl radical41
HNCSIsothiocyanic acid59
NH3Ammonia17
HSCNThiocyanic acid59
HNSOThionylimide63
SiC3Silicon tricarbide64
HMgNCHydromagnesium isocyanide51.3
HNO2Nitrous acid47

Five atoms (21)

Methane, the primary component of natural gas, has also been detected in molecular clouds.
MoleculeDesignationMassIons
Ammonium ion18NH+ 4
CH4Methane16
CH3OMethoxy radical31
c-C3H2Cyclopropenylidene38
l-H2C3Propadienylidene38
H2CCNCyanomethyl40
H2C2OKetene42
H2CNHMethylenimine29
HNCNHCarbodiimide42
Protonated formaldehyde31H2COH+
C4HButadiynyl49C4H−
HC3NCyanoacetylene51
HCC-NCIsocyanoacetylene51
HCOOHFormic acid46
NH2CNCyanamide42
NH2OHHydroxylamine37
Protonated cyanogen53NCCNH+
HC(O)CNCyanoformaldehyde55
C5Linear C560
HCS2Hdithioformic acid78
SiC4Silicon-carbide cluster92
SiH4Silane32

Six atoms (16)

In the ISM, formamide (above) can combine with methylene to form acetamide.
MoleculeDesignationMassIons
c-H2C3OCyclopropenone54
E-HNCHCNE-Cyanomethanimine54
C2H4Ethylene28
CH3CNAcetonitrile40
CH3NCMethyl isocyanide40
CH3OHMethanol32
CH3SHMethanethiol48
l-H2C4Diacetylene50
Protonated cyanoacetylene52HC3NH+
HCONH2Formamide44
HOCOOHCarbonic acid
C5HPentynylidyne61
C5NCyanobutadiynyl radical74
HC2CHOPropynal54
HC4N63
CH2CNHKetenimine40
C5S92

Seven atoms (16)

Acetaldehyde (above) and its isomers vinyl alcohol and ethylene oxide have all been detected in interstellar space.
MoleculeDesignationMassIons
c-C2H4OEthylene oxide44
CH3C2HMethylacetylene40
H3CNH2Methylamine31
CH2CHCNAcrylonitrile53
HCCCHNHPropargylimine53
H2CHCOHVinyl alcohol44
C6HHexatriynyl radical73C6H−
HC4CNCyanodiacetylene75
HC4NCIsocyanodiacetylene75
HC5O77
CH3CHOAcetaldehyde44
CH3CHSThioacetaldehyde60
CH3NCOMethyl isocyanate57
HOCH2CNGlycolonitrile57
HC3HCN1-cyano propargyl radical64
CH2C3N3-cyano propargyl radical64

Eight atoms (14)

The radio signature of acetic acid, a compound found in vinegar, was confirmed in 1997.
MoleculeDesignationMass
H3CC2CNMethylcyanoacetylene65
HC3H2CNPropargyl cyanide65
H2COHCHOGlycolaldehyde60
(CHOH)21,2-ethenediol60
HCOOCH3Methyl formate60
CH3COOHAcetic acid60
H2C6Hexapentaenylidene74
CH2CHCHOPropenal56
CH2CCHCNCyanoallene65
CH3CHNHEthanimine43
C2H3NH2Vinylamine43
C7HHeptatrienyl radical85
NH2CH2CNAminoacetonitrile56
(NH2)2COUrea60

Nine atoms (11)

MoleculeDesignationMassIons
CH3C4HMethyldiacetylene64
CH3OCH3Dimethyl ether46
CH3CH2CNPropionitrile55
CH3CONH2Acetamide59
CH3CH2OHEthanol46
C8HOctatetraynyl radical97C8H−
HC7NCyanohexatriyne or Cyanotriacetylene99
CH3CHCH2Propylene (propene)42
CH3CH2SHEthyl mercaptan62
CH3SCH3Dimethyl sulfide62
CH3NHCHON-methylformamide59

Ten or more atoms (24)

Diacetylene, HCCCCH
A number of polyyne-derived chemicals are among the heaviest molecules found in the interstellar medium.
AtomsMoleculeDesignationMassIons
10(CH3)2COAcetone58
10(CH2OH)2Ethylene glycol62
10CH3CH2CHOPropanal58
10CH3OCH2OHMethoxymethanol62
10CH3C5NMethylcyanodiacetylene89
10CH3CHCH2OPropylene oxide58
11NH2CH2CH2OHEthanolamine61
11HC8CNCyanotetraacetylene123
11C2H5OCHOEthyl formate74
11CH3COOCH3Methyl acetate74
11CH3C6HMethyltriacetylene88
12C6H6Benzene78
12C3H7CNn-Propyl cyanide69
12(CH3)2CHCNiso-Propyl cyanide69
13CH3OCH2CH2OH2-methoxyethanol76
13C6H5CNBenzonitrile104
13HC10CNCyanopentaacetylene147
17C9H8Indene116
19C10H7CN1-cyanonaphthalene153
19C10H7CN2-cyanonaphthalene153
21C12H7CN1-cyanoacenaphtylene177
21C12H7CN5-cyanoacenaphtylene177
27C16H9CN1-cyanopyrene227
27C16H9CN2-cyanopyrene227
27C16H9CN4-cyanopyrene227
37C24H11CNcyanocoronene325
60C60Buckminsterfullerene (C60 fullerene)720C+ 60
70C70C70 fullerene840

Deuterated molecules (22)

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

AtomsMoleculeDesignation
2HDHydrogen deuteride
3H2D+, HD+ 2Trihydrogen cation
3HDO, D2OHeavy water
3DCNHydrogen cyanide
3DCOFormyl radical
3DNCHydrogen isocyanide
3N2D+
3NHD, ND2Amidogen
4NH2D, NHD2, ND3Ammonia
4HDCO, D2COFormaldehyde
4DNCOIsocyanic acid
5NH3D+Ammonium ion
6NH2CDO; NHDCHOFormamide
7CH2DCCH, CH3CCDMethylacetylene

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
2SiHSilylidine
2CaOCalcium oxide
4PH3Phosphine
4MgCCHMagnesium monoacetylide
4NCCPCyanophosphaethyne
5H2NCO+
6SiH3CNSilyl cyanide
10H2NCH2COOHGlycine
10C2H5NH2Ethylamine
12CO(CH2OH)2Dihydroxyacetone
12C2H5OCH3Ethyl methyl ether
18C10H+ 8Naphthalene cation
24C24Graphene
24C14H10Anthracene
26C16H10Pyrene
27C11H12N2O2Tryptophan

See also

Notes

External links

  • Woon, David E. (October 1, 2010). .
  • . Universität zu Köln. April 2022.
  • Dworkin, Jason P. (February 1, 2007). . NASA's Cosmic Ice Lab.
  • Wootten, Al (November 2005). . National Radio Astronomy Observatory.
  • Lovas, F. J.; Dragoset, R. A. (February 2004). . Journal of Physical and Chemical Reference Data. 33 (1): 177. Bibcode:. doi:. Archived from on 2013-02-01.
  • Williams, David A.; Cecchi-Pestellini, Cesare (8 February 2023). . Royal Society of Chemistry. ISBN 978-1-83916-939-7.