Bandlist 34 34

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

Title
Absorption band list of H2O in solid H2O (phase I: Ih, Ic)
Type
absorption
Description
FIR-MIR-NIR absorption band list of H2O in solid H2O (phase I: Ih, Ic) at 20, 100, 140 and 270 K
Number of bands
34
Comments
vibration mode attribution for comination modes are still uncertain
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
L
libration
H2 16O
no
2245 ± 10 2245 ± 10 690 ± 30 0.028 s
ν2L
bending
libration
H2 16O
H2 16O
no
2470 ± 10 2470 ± 10 390 ± 50 0.016 s
L
libration
H2 16O
no
3145 ± 2 3145 ± 2 18000 ± 1000 0.735 vs
ν1 in-phase
2
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
ν1L
ν3L
2L
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
ν1L
ν3L
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
ν12
2
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
2+2νL
ν12
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
ν23
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
ν12
ν23
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
ν12L
ν23L
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
1 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
ν13
23
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
3 (TO)
ν1+2ν2
23
ν11
ν13
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
ν13
ν33
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
1 out-of-phase
3 (LO)
ν13
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
3L
ν13L
1L
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
12
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
ν123
23
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
ν123L
12L
ν2+2ν3L
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
13
3 (TO)
1 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
123
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
13
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: 2024-12-25 19:28:00 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 FIR-MIR-NIR spectra of H2O-I ice : Vanderberg (1954), Guigere and Harvey (1956), Hornig et al. (1958), Ockman (1957, 1958), Zimmerman and Pimentel (1962), Bertie and Whalley (1964, 1967), Ikawa and Maeda (1968), Bertie et al. (1969), Hardin and Harvey (1973), Legeret al. (1979), Hagen et al. (1981), Hagen and Tielens (1982), Moore and Hudson (1992), Hudgins et al. (1993), Smith et al. (1994), Trotta (1996), Grundy and Schmitt (1998), Moore et al. (2001), Mastrapa et al. (2008, 2009), Giuliano et al. (2014) and reanalysis of the data in Grundy et al. (1998) and Trotta (1996).
Quality flag
4
Validation date
2022-02-23
Validators