Bandlist 34 34

Absorption band list of H2O in natural solid H2O (phase I: Ih, Ic)

Title
Absorption band list of H2O in natural solid H2O (phase I: Ih, Ic)
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Individual bands
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Simple
Gaussian
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Data
Unit:  Range: Valid spectral range(s): 50.0 - 12500.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2022): Absorption band list of H2O in natural solid H2O (phase I: Ih, Ic). Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_H2O_H2O-IH
Publication(s)
Data publication(s)
Type
absorption
Description
FIR-MIR-NIR absorption band list of H2O in natural solid H2O (phase I: Ih, Ic) at 20, 100, 140 and 270 K
Number of bands
34
Parent experiments
Parent spectra
Constituent and primary specie
Constituent
H2O - phase Ih
Primary specie
H2O (Water)
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
65 ± 5 65 ± 5 85 ± 10 m
νT (E2u)
translation
H2 16O
no
103 ± 5 103 ± 5 40 ± 20 m
νT
translation
H2 16O
no
159 ± 1 159 ± 1 800 ± 50 0.033 s
νT (B1g)
translation
H2 16O
no
185 ± 3 185 ± 3 800 ± 100 0.033 s
νT (B2u)
translation
H2 16O
no
224 ± 1 224 ± 1 2150 ± 50 0.088 vs
νT (A1g)
νT (E1g)
translation
translation
H2 16O
H2 16O
no
no

260 ± 10 260 ± 10 30 ± 10 800 ± 200 0.033 s
νT
translation
H2 16O
no
299 ± 5 299 ± 5 310 ± 50 0.013 s
νT
translation
H2 16O
no
832 ± 8 832 ± 8 195 ± 10 2400 ± 100 0.098 vs
νL
libration
H2 16O
no
1580 ± 30 1580 ± 30 900 ± 50 0.037 s
ν2
bending
H2 16O
H2 16O
no
1630 ± 20 1630 ± 20 935 ± 50 0.033 s
2νL
libration
H2 16O
no
2245 ± 10 2245 ± 10 690 ± 30 0.028 s
ν2+νL
bending
libration
H2 16O
H2 16O
no
2470 ± 10 2470 ± 10 390 ± 50 0.016 s
3νL
libration
H2 16O
no
3145 ± 2 3145 ± 2 18000 ± 1000 0.735 vs
ν1 in-phase
2ν2
stretching sym.
bending
-16O-1H
H2 16O
H2 16O
H2 16O
no
no

3222 ± 2 3222 ± 2 24500 ± 100 1 vvs
ν3 (TO)
stretching asym.
-16O-1H
H2 16O
no
3365 ± 20 3365 ± 20 9050 ± 500 0.37 vs
ν3 (LO)
ν1 out-of-phase
stretching asym.
stretching sym.
-16O-1H
-16O-1H
H2 16O
H2 16O
no
no

3963 ± 5 3963 ± 5 580 30.6 ± 1.5 0.00125 m
ν1+νL
ν3+νL
2ν2+νL
stretching sym.
libration
stretching asym.
libration
bending
libration
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
H2 16O
no
no
no


4241 ± 5 4241 ± 5 155.5 6.05 ± 0.5 2.5e-04 w
ν1+νL
ν3+νL
stretching sym.
libration
stretching asym.
libration
-16O-1H
-16O-1H
H2 16O
H2 16O
no
no

4520 ± 20 4520 ± 20 150 ± 100 1 ± 0.5 vw
ν1+ν2
3ν2
stretching sym.
bending
bending
-16O-1H
H2 16O
H2 16O
H2 16O
H2 16O
no
no

4810 ± 20 4810 ± 20 140 29 ± 1.5 m
ν1+2νL
2ν2+2νL
ν1+ν2
stretching sym.
libration
bending
libration
stretching sym.
bending
-16O-1H
H2 16O
-16O-1H
H2 16O
H2 16O
H2 16O
H2 16O
no
no
no


4966 ± 1 4966 ± 1 438.5 52 ± 1.5 0.0021 m
ν3+2νL
ν2+ν3
stretching asym.
libration
bending
stretching asym.
-16O-1H
H2 16O
-16O-1H
H2 16O
H2 16O
no
no

4997 ± 20 4997 ± 20 256 48.3 ± 2 0.002 m
ν1+2νL
ν3+2νL
ν1+ν2
ν2+ν3
stretching sym.
libration
stretching asym.
libration
stretching sym.
bending
bending
stretching asym.
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
-16O-1H
H2 16O
H2 16O
H2 16O
H2 16O
no
no
no
no



5568 ± 10 5568 ± 10 330 3.2 ± 0.5 w
ν1+ν2+νL
ν2+ν3+νL
stretching sym.
bending
libration
bending
stretching asym.
libration
-16O-1H
H2 16O
H2 16O
-16O-1H
H2 16O
H2 16O
no
no

6073 ± 1 6073 ± 1 106 8.1 ± 0.5 3.3e-04 w
2ν1 in-phase
ν1+2ν2
stretching sym.
stretching sym.
bending
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
no
no

6359 ± 1 6359 ± 1 650 21 ± 2 m
ν1+ν3
2ν2+ν3
stretching sym.
stretching asym.
bending
stretching asym.
-16O-1H
-16O-1H
H2 16O
-16O-1H
H2 16O
H2 16O
no
no

6371 ± 20 6371 ± 20 115 13 ± 1 w
2ν3 (TO)
ν1+2ν2
2ν2+ν3
ν1+ν1
ν1+ν3
stretching asym.
stretching sym.
bending
bending
stretching asym.
stretching sym.
stretching sym.
stretching sym.
stretching asym.
-16O-1H
-16O-1H
H2 16O
H2 16O
-16O-1H
-16O-1H
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
H2 16O
H2 16O
no
no
no
no
no




6567 ± 10 6567 ± 10 340 25 ± 1.5 m
ν1+ν3
ν3+ν3
stretching sym.
stretching asym.
stretching asym.
stretching asym.
-16O-1H
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
no
no

6654 ± 1 6654 ± 1 171 16 ± 1 6.5e-04 w
2ν1 out-of-phase
2ν3 (LO)
ν1+ν3
stretching sym.
stretching asym.
stretching sym.
stretching asym.
-16O-1H
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
no
no
no


7213 ± 50 7213 ± 50 330 0.55 ± 0.2 vw
2ν3+νL
ν1+ν3+νL
2ν1+νL
stretching asym.
libration
stretching sym.
stretching asym.
libration
stretching sym.
libration
-16O-1H
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
no
no
no


7652 ± 3 7652 ± 3 130.5 0.18 ± 0.05 7.3e-06 vvw
2ν1+ν2
ν1+3ν2
stretching sym.
bending
stretching sym.
bending
-16O-1H
H2 16O
-16O-1H
H2 16O
H2 16O
H2 16O
no
no

7809 ± 10 7809 ± 10 760 1.5 ± 0.5 vw
ν1+ν2+ν3
3ν2+ν3
ν2+2ν3
stretching sym.
bending
stretching asym.
bending
stretching asym.
bending
stretching asym.
-16O-1H
H2 16O
-16O-1H
H2 16O
-16O-1H
H2 16O
-16O-1H
H2 16O
H2 16O
H2 16O
no
no
no


9000 ± 10 9000 ± 10 250 ± 100 0.05 ± 0.03 vvw
ν1+ν2+ν3+νL
2ν1+ν2+νL
ν2+2ν3+νL
stretching sym.
bending
stretching asym.
libration
stretching sym.
bending
libration
bending
stretching asym.
libration
-16O-1H
H2 16O
-16O-1H
-16O-1H
H2 16O
H2 16O
-16O-1H
H2 16O
H2 16O
H2 16O
no
no
no


9757 ± 40 9757 ± 40 755 0.28 ± 0.15 1.15e-05 vw
2ν1+ν3
3ν3 (TO)
3ν1 in-phase
stretching sym.
stretching asym.
stretching asym.
stretching sym.
-16O-1H
-16O-1H
-16O-1H
-16O-1H
H2 16O
H2 16O
H2 16O
no
no
no


11100 ± 100 11100 ± 100 400 ± 200 0.02 ± 0.01 vvw
2ν1+ν2+ν3
stretching sym.
bending
stretching asym.
-16O-1H
H2 16O
-16O-1H
H2 16O
no
12500 ± 100 12500 ± 100 700 ± 200 0.02 ± 0.01 vvw
3ν1+ν3
stretching sym.
stretching asym.
-16O-1H
-16O-1H
H2 16O
no
Spectral range type(s)
FIR, MIR, NIR
Spectral range(s)
50 - 12500 cm-1
Reference position infrared
3222 cm-1

Versions

Release date
2022-02-23 10:27:51 UTC+0000
Version (Date)
#1 (2022-02-23 10:27:51 UTC+0000, Updated: 2022-02-23 10:27:51 UTC+0000)
History
Date Mode Version Status Comments
2022-02-23 10:21:44 UTC+0000 first import #1 valid version
Analysis
from compilation and review of most published papers (~25) on H2O-I ice and analysis of the data in Grundy et al. (1998) paper and Trotta (1996) PhD thesis (in GhoSST@SSHADE)
Quality flag
4
Validation date
2022-02-23
Validators