Astrochemistry Laboratory
IR Spectra - The Cosmic Ice Laboratory - Sciences and Exploration Directorate - NASA's Goddard Space Flight Center

The Cosmic Ice Laboratory - IR Spectra

The Cosmic Ice Laboratory - IR Spectra


Links to IR spectra in various formats are available in the following tables. PLEASE NOTE: If you find these spectra helpful in your research, please acknowledge any use by reference to "Hudson et al." and this NASA web site.


Here are the types of spectra in the three tables below:


  1. Mid-IR Spectra of Molecules Diluted in H2O at 15 - 20 K

  2. Far-IR Spectra of H2O Ice

  3. IR Spectra of NH3-Containing Ices (See Moore, M. H., Ferrante, R. F., Hudson, R. L., and Stone, J. N. (2007). Ammonia—Water Ice Laboratory Studies Relevant to Outer Solar System Surfaces. Icarus, 190, 260-273.)



Mid-IR (4000-400 cm-1) Spectra of Molecules Diluted in H2O at 15 - 20 K

H2O + CO (20:1) Water + Carbon Monoxide (20:1) at T = 16 K
ASCII [74 kb]
SPC [20 kb]
PDF [25 kb]
H2O + CO2 (10:1) Water + Carbon Dioxide (10:1) at T = 17 K
ASCII [59 kb]
SPC [16 kb]
PDF [23 kb]
H2O + CH4 (20:1)> Water + Methane (20:1) at T = 15 K
ASCII [56 kb]
SPC [16 kb]
PDF [22 kb]
H2O + C2H6 (20:1) Water + Ethane (20:1) at T = 15 K
ASCII [56 kb]
SPC [16 kb]
PDF [22 kb]
H2O + C3H8 (22:1) Water + Propane (22:1) at T = 16 K
ASCII [58 kb]
SPC [16 kb]
PDF [20 kb]
H2O + C4H10 (20:1) Water + Butane (20:1) at T = 16 K
ASCII [59 kb]
SPC [15 kb]
PDF [22 kb]
H2O + C2H4 (20:1) Water + Ethylene (20:1) at T = 15 K
ASCII [57 kb]
SPC [15 kb]
PDF [22 kb]
H2O + C3H6 (17:1) Water + Propylene (17:1) at T = 17 K
ASCII [58 kb]
SPC [16 kb]
PDF [22 kb]
H2O + C2H2 (15:1) Water + Acetylene (15:1) at T = 15 K
ASCII [58 kb]
SPC [16 kb]
PDF [20 kb]
H2O + C3H4 (approx. 20:1) Water + Methylacetylene (approx. 20:1) at T = 16 K
ASCII [59 kb]
SPC [16 kb]
PDF [21 kb]
H2O + C3H4 (13:1) Water + Allene (13:1) at T = 17 K
ASCII [60 kb]
SPC [16 kb]
PDF [22 kb]
H2O + C4H6 (20:1) Water + Butadiene (20:1)
ASCII [56 kb]
SPC [16 kb]
PDF [22 kb]
H2O + CH3OH (5:1) Water + Methanol (5:1)
ASCII [224 kb
SPC [59 kb]
PDF [33 kb]
H2O + C2H5OH (20:1) Water + Ethanol (20:1) at T = 15 K
ASCII [56 kb]
SPC [16 kb]
PDF [23 kb]
H2O + C2H4(OH)2 (5:1) Water + Ethylene Glycol (5:1) at T = 18 K. H2O features are identified with asterisks ("*") in the graphs.
ASCII [55 kb]
EPS [53 kb]
H2O + H2CO (8:1) Water + Formaldehyde (8:1) at T = 15 K
ASCII [55 kb]
SPC [16 kb]
PDF [24 kb]
H2O + CH3COH (20:1) Water + Acetaldehyde (20:1) at T = 16 K
ASCII [57 kb]
SPC [16 kb]
PDF [24 kb]
H2O + (CH3)2CO (20:1) Water + Acetone (20:1) at T = 16 K
ASCII [58 kb]
SPC [16 kb]
PDF [23 kb]
H2O + (CH3)(C2H5)CO (approx. 40:1) Water + Methylethyl Ketone (MEK) (approx. 40:1)
ASCII [57 kb]
SPC [16 kb]
PDF [23 kb]
H2O + HCOOH (9:1) Water + Formic Acid (9:1) at T = 17 K
ASCII [58 kb]
SPC [16 kb]
PDF [24 kb]
H2O + CH3COOH (10:1) Water + Acetic Acid (10:1) at T = 16 K
ASCII [58 kb]
SPC [16 kb]
PDF [22 kb]
H2O + HCOOCH3 (20:1) Water + Methylformate (20:1) at T = 16 K
ASCII [73 kb]
SPC [20 kb]
PDF [24 kb]
H2O + (CH3)2O (20:1) Water + Dimethylether (20:1)
ASCII [75 kb]
SPC [20 kb]
PDF [33 kb]
H2O + c-C2H4O (approx. 20:1) Water + Ethylene Oxide (approx. 20:1)
ASCII [75 kb]
SPC [20 kb]
PDF [25 kb]
H2O + NH3 Water + Ammonia
See table below
H2O + CH3NH2 Water + Methylamine (unknown dilution) at T = 16 K
ASCII [56 kb]
SPC [16 kb]
PDF [24 kb]
H2O + N2O (10:1) Water + Nitrous Oxide (dinitrogen oxide) (10:1) at T = 18 K
ASCII [57 kb]
SPC [16 kb]
PDF [21 kb]
H2O + HCN (3:1) Water + Hydrogen Cyanide (3:1)
ASCII [71 kb]
SPC [20 kb]
PDF [25 kb]
H2O + H2O2 (3%) Water + Hydrogen Peroxide (3%) at T = 19 K
ASCII [55 kb]
SPC [16 kb]
PDF [21 kb]
H2O + OCS (20:1) Water + Carbonyl Sulfide (20:1) at T = 16 K
ASCII [59 kb]
SPC [16 kb]
PDF [23 kb]

Far-Infrared Spectra of H2O Ice (read a detailed description here)

H2O deposited at 14 K and subsequently warmed

deposit at 14 K

ASCII [28 kb]

warmed to 40 K

ASCII [25 kb]

warmed to 80 K

ASCII [26 kb]

warmed to 100 K

ASCII [25 kb]

warmed to 120 K

ASCII 24 kb]

warmed to 140 K

ASCII [24 kb]

warmed to 160 K

ASCII [24 kb]

H2O deposited at 160 K and subsequently cooled

deposit at 160 K

ASCII [24 kb]

cooled to 140 K

ASCII [24 kb]

cooled to 120 K

ASCII [24 kb]

cooled to 100 K

ASCII [24 kb]

cooled to 80 K

ASCII [24 kb]

cooled to 40 K

ASCII [26 kb]

cooled to 14 K

ASCII [28 kb]

H2O deposited at various temperatures

deposit at 40 K

ASCII [26 kb]

deposit at 80 K

ASCII [24 kb]

deposit at 100 K

ASCII [24 kb]

deposit at 120 K

ASCII [24 kb]

deposit at 140 K

ASCII [24 kb]

IR Spectra of NH3-Containing Ices

** For details, see Moore, M. H., Ferrante, R. F., Hudson, R. L., and Stone, J. N. (2007). Ammonia–Water Ice Laboratory Studies Relevant to Outer Solar System Surfaces. Icarus, 190, 260-273. **

Figure 1
A graph of the relative absorbance of NH3 comapred to H2O + NH3 at different temperatures. Shows increased activity arounf the 3400 cm-1 and 1000 cm-1.
NH3 compared to H2O+NH3 Ices
NH3 9 K Amorphous Phase
ASCII [162 kb]
SPC [40 kb]
NH3 ~90 K Transition Phase
ASCII [154 kb]
SPC [40 kb]
NH3 95 K Cubic Phase
ASCII [255 kb]
SPC [61 kb]
H2O + NH3 9 K
ASCII [53 kb]
SPC [15 kb]
H2O + NH3 90 K
ASCII [50 kb]
SPC [14 kb]
H2O + NH3 130 K
ASCII [50 kb]
SPC [14 kb]
Figure 2
Graph of the relative absorbance of H2O/NH3 mixtures at different temperatures and monohydrate versus hemihydrate. Shows increased acitivy around 1100 cm-1.
IR spectra of Ices made from H2O/NH3=0.5 gas-phase mixtures
Spectrum (a)
ASCII [247 kb]
SPC [61 kb]
Spectrum (b)
ASCII [247 kb]
SPC [61 kb]
Spectrum (c)
ASCII [243 kb]
SPC [61 kb]
Spectrum (d)
ASCII [246 kb]
SPC [61 kb]
Figure 3
A graph showing the relative absorbtion of 'this work' compared to the hemihydrate reference spectrum (monohydrate is 2NH3 · H2O). Shows increased activity around the 3500 cm-1/3µm and 1000 cm-1 range.
This work compared to a hemihydrate reference spectrum
This Work
ASCII [225 kb]
SPC [61 kb]
Reference Spectrum
ASCII [25 kb]
SPC [7 kb]
Figure 4
A graph showing the relative absorbance of 'this work' compared to monohydrate reference spectrum (monohydrate is NH3 · H2O). Shows increased activity around the 3500 cm-1/3µm and 1000 cm-1 range
This work compared to a monohydrate reference spectrum
This Work
ASCII [286 kb]
SPC [70 kb]
Reference Spectrum
ASCII [30 kb]
SPC [9 kb]
Figure 5
A graph showing the relative absorbtion of 'this work' compared to the hemihydrate reference spectrum. Shows increased activity around the 1100 cm-1/~9 µm range.
The thermal evolution of hemihydrate 2NH3 � H2O
Spectrum (a)
ASCII [247 kb]
SPC [61 kb]
Spectrum (b)
ASCII [249 kb]
SPC [61 kb]
Spectrum (c)
ASCII [246 kb]
SPC [61 kb]
Spectrum (d)
ASCII [280 kb]
SPC [70 kb]
Figure 6
Graph showing the thermal evolution of hemihydrate 2NH3 · H2O, Shows a sharp spike in activity around the 1100 cm-1 range.
A comparative look at near-IR spectra from 5400 to 4000 cm-1
Amorphous NH3
ASCII [55 kb]
SPC [24 kb]
Transition NH3
ASCII [55 kb]
SPC [24 kb]
Cubic NH3
ASCII [255 kb]
SPC [61 kb]
2NH3 � H2O
ASCII [225 kb]
SPC [61 kb]
NH3 � H2O
ASCII [286 kb]
SPC [70 kb]
H2O+NH3
ASCII [50 kb]
SPC [14 kb]
Pure H2O
ASCII [55 kb]
SPC [24 kb]
Figure 7
Graph comparing H2O, H2O + NH3, 2NH3 + H2O, and NH3. Shows spikes at the 5000 cm-1 and 4450 cm-1 range.
A comparative look at near-IR spectra from 5600 to 4000 cm-1
H2O/NH3=0
ASCII [162 kb]
SPC [40 kb]
H2O/NH3=0.7
ASCII [55 kb]
SPC [16 kb]
H2O/NH3=1.6
ASCII [53 kb]
SPC [15 kb]
H2O/NH3=4.7
ASCII [50 kb]
SPC [14 kb]
H2O/NH3=14
ASCII [53 kb]
SPC [15 kb]
H2O/NH3=42
ASCII [53 kb]
SPC [14 kb]
H2O/NH3=57
ASCII [52 kb]
SPC [15 kb]
Figure 9
Graph showing changes in the near- and mid-IR spectrum of 2NH3 · H20 at 50 Kelvin. Shows spikes at 5000 cm-1,= and 1100 cm-1.
Changes in the near- and mid-IR spectrum of 2NH3 � H2O at 50 K as a function of radiation dose
Spectrum (a)
ASCII [230 kb]
SPC [61 kb]
Spectrum (b)
ASCII [229 kb]
SPC [61 kb]
Spectrum (c)
ASCII [230 kb]
SPC [61 kb]
Spectrum (d)
ASCII [230 kb]
SPC [61 kb]
Spectrum (e)
ASCII [224 kb]
SPC [61 kb]
Spectrum (f)
ASCII [224 kb]
SPC [61 kb]
Reference Spectrum
ASCII [230 kb]
SPC [61 kb]
Figure 10
Graph showing changes in the IR spectrum of 2NH3 · H2O before and after irradiation. Shows spikes at 1600 cm-1, 1100 cm-1 and 800 cm-1.
Changes in the IR spectrum of 2NH3 � H2O before and after an irradiation of 2.8 eV molecule-1
10 K Before
ASCII [224 kb]
SPC [61 kb]
10 K After
ASCII [224 kb]
SPC [61 kb]
50 K Before
ASCII [230 kb]
SPC [61 kb]
50 K After
ASCII [224 kb]
SPC [61 kb]
95 K Before
ASCII [225 kb]
SPC [61 kb]
95 K After
ASCII [224 kb]
SPC [61 kb]
Figure 13
Graph showing the IR spectra of H2O + NH3 (7:1) ice at 10 Kelvin before and after irradiation. Shows spikes at 1750 cm-1 and 1100 cm-1.
IR spectra of an H2O + NH3 (7:1) ice at 10 K before and after irradiation to a dose of 7 eV molecule-1 at 10 K
Reference Spectrum
ASCII [55 kb]
SPC [24 kb]
Before Irradiation
ASCII [55 kb]
SPC [15 kb]
After Irradiation
ASCII [53 kb]
SPC [15 kb]