Bandlist 40 40

Absorption band list of crystalline NH3 in natural solid NH3 (phase I)

Title
Absorption band list of crystalline NH3 in natural solid NH3 (phase I)
Type
absorption
Description
FIR-MIR-NIR-VUV absorption band list of crystalline NH3 in natural solid NH3 (phase I) at 20 ± 10K and 90 ± 15K
Number of bands
40
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
80 ± 2 80 ± 2 350 ± 100 0.0073 s
?
translation
NH3

138 ± 1 138 ± 1 10 ± 1 750 ± 100 0.0155 s
νTxy (F)
translation
NH3

180 ± 1 180 ± 1 14 ± 1 190 ± 60 0.004 m
νTxy (F)
translation
NH3

260 ± 2 260 ± 2 12 ± 1 340 ± 50 0.007 s
νLz (F)
libration
NH3

362 ± 2 362 ± 2 26 ± 1 14000 ± 800 0.29 vs
νLxy (F) (TO)
libration
NH3

366 ± 1 366 ± 1 vs
νLxy (F) (TO)
libration
NH3

474 ± 1 474 ± 1 2000 ± 250 0.042 s
νLxyTxy (F) ?
translation
libration
NH3

534 ± 7 534 ± 7 18 ± 1 1600 ± 200 0.033 s
νLxy (F) (LO)
libration
NH3

581 ± 2 581 ± 2 1500 ± 200 0.031 s
?
unknown
NH3

1058 ± 2 1058 ± 2 12 ± 1 34200 ± 500 0.71 vvs
ν2 (TO)
Lxy (F) ?
deformation sym.
libration
NH3
NH3
NH3



1100 ± 1 1100 ± 1 3 ± 1 150 ± 30 0.03 m
ν2
L
deformation sym.
libration
NH3
NH3
NH3



1141 ± 2 1141 ± 2 8 ± 3 50 ± 15 0.001 m
ν2L
deformation sym.
libration
NH3
NH3

1158 ± 3 1158 ± 3 13 ± 3 40 ± 10 8.0e-04 m
ν2L ?
deformation sym.
libration
NH3
NH3

1207 ± 1 1207 ± 1 23 ± 5 35 ± 10 7.0e-04 m
ν2+3ν6
deformation sym.
NH3
NH3

1248 ± 1 1248 ± 1 16 ± 5 35 ± 10 7.0e-04 m
ν2+3ν6
deformation sym.
NH3
NH3

1409 ± 2 1409 ± 2 55 ± 5 250 ± 50 0.0052 s
ν2L
deformation sym.
libration
NH3
NH3

1495 ± 5 1495 ± 5 30 ± 10 140 ± 50 0.003 m
ν4
deformation asym.
NH3
NH3
triple
1594 ± 2 1594 ± 2 620 ± 50 0.013 s
ν4
ν25
deformation asym.
deformation sym.
deformation sym.
NH3
NH3
NH3
NH3
NH3
triple


1648 ± 2 1648 ± 2 15 ± 1 1270 ± 50 0.026 s
ν4
deformation asym.
NH3
NH3
triple
1893 ± 7 1893 ± 7 70 ± 5 290 ± 20 0.006 s
ν4+nuLz
deformation asym.
libration
NH3
NH3

3212 ± 3 3212 ± 3 15 ± 5 200 ± 20 0.0042 s
ν1
stretching sym.
>N-H
NH3

3293 ± 3 3293 ± 3 50 ± 10 1500 ± 500 0.031 s
ν1+nuT (F)
4 (F)
stretching sym.
translation
deformation asym.
>N-H
NH3
NH3
NH3



3369 ± 2 3369 ± 2 8.5 ± 1 18000 ± 2000 0.375 vs
ν3
stretching asym.
>N-H
NH3
triple
3376 ± 2 3376 ± 2 8 ± 1 48000 ± 500 1 vvs
ν3 (TO)
stretching asym.
>N-H
NH3
triple
3480 ± 3 3480 ± 3 30 ± 20 6.0e-04 m
ν1+nuLz
stretching sym.
libration
>N-H
NH3

3535 ± 4 3535 ± 4 50 ± 6 225 ± 25 0.0047 s
ν1+nuLxy
stretching sym.
libration
>N-H
NH3

3720 ± 5 3720 ± 5 20 ± 5 4.0e-04 m
ν1+nuLxy
ν3+nuLxy
stretching sym.
libration
stretching asym.
libration
>N-H
>N-H
NH3
NH3



4347 ± 3 4347 ± 3 50 ± 20 80 ± 20 0.0017 m
ν12
stretching sym.
deformation sym.
>N-H
NH3
NH3

4437 ± 1 4437 ± 1 32 ± 5 400 ± 30 0.0083 s
ν23
deformation sym.
stretching asym.
NH3
>N-H
NH3

4461 ± 1 4461 ± 1 20 ± 2 1120 ± 20 0.023 s
ν23
deformation sym.
stretching asym.
NH3
>N-H
NH3

4987 ± 2 4987 ± 2 80 ± 5 425 ± 20 0.0088 s
ν34
stretching asym.
deformation asym.
>N-H
NH3
NH3

5240 ± 15 5240 ± 15 15 ± 10 3.0e-04 w
ν34L
stretching asym.
deformation asym.
libration
>N-H
NH3
NH3

6110 ± 10 6110 ± 10 20 ± 10 4.0e-04 w
ν234
deformation sym.
stretching asym.
deformation asym.
NH3
>N-H
NH3
NH3

6480 ± 5 6480 ± 5 23 ± 10 5.0e-04 w
1
3
stretching sym.
stretching asym.
>N-H
>N-H
NH3
NH3



6584 ± 5 6584 ± 5 25 ± 10 5.0e-04 w
1
3
stretching sym.
stretching asym.
>N-H
>N-H
NH3
NH3



6721 ± 5 6721 ± 5 18 ± 8 4.0e-04 w
1
3
stretching sym.
stretching asym.
>N-H
>N-H
NH3
NH3



8060 ± 20 8060 ± 20 20 ± 10 4.0e-04 w
14
stretching sym.
>N-H
NH3

9620 ± 20 9620 ± 20 15 ± 10 3.0e-04 w
1
stretching sym.
>N-H
NH3

51550 ± 300 51550 ± 300 500 ± 250 7500 ± 2500 0.155 vs
Ã1 A"2 ← X1 A'1
unknown
NH3

58800 ± 200 58800 ± 200 10000 ± 500 100000 ± 5000 2.05 vvs
Ã1 A"2 ← X1 A'1
unknown
NH3

Spectral range type(s)
FIR, MIR, NIR, VUV
Spectral range(s)
50 - 7000 cm-1, 50000 - 60000 cm-1
Reference position infrared
3376 cm-1

Versions

Release date
2022-05-01 20:21:43 UTC+0000
Version (Date)
#1 (2022-05-01 20:21:43 UTC+0000, Updated: 2022-05-01 20:21:43 UTC+0000)
History
Date Mode Version Status Comments
2022-05-01 19:37:22 UTC+0000 first import #1 valid version
Analysis
from compilation and review of most published papers on NH3-I and analysis of the numerical data in Hudson et al. (2022)
Quality flag
4
Validation date
2022-05-01
Validators