Bandlist 51 51

Absorption band list of C2H2 in solid C2H2 (phase II)

Title
Absorption band list of C2H2 in solid C2H2 (phase II)
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Data
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Simple
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Peaks
Data
Unit:  Range: Valid spectral range(s): 80.0 - 6500.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Absorption band list of C2H2 in solid C2H2 (phase II). Version 2. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_C2H2_C2H2-II
Publication(s)
Type
absorption
Description
NIR-MIR-FIR absorption band list of C2H2 in solid C2H2 (phase II) at 20 and 65 K, + 130K for FIR
Number of bands
51
Comments
C2H2 phase-II is stable below 133K
Constituent and primary specie
Constituent
C2H2 - phase II
Primary specie
C2H2 (Ethyne)
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
104 ± 0.5 104 ± 0.5 3.3 ± 0.3 0.82 ± 0.1 1.05e-05 vw
νT
translation
C2H2

124.5 ± 1 124.5 ± 1 4.5 ± 0.3 0.75 ± 0.05 9.5e-06 vw
νT
translation
C2H2

746.5 ± 1 746.5 ± 1 2540 ± 50 0.032 s
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

761.5 ± 1.5 761.5 ± 1.5 14800 ± 200 0.1905 vs
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

770.5 ± 1.5 770.5 ± 1.5 19550 ± 300 0.252 vs
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

791.5 ± 1 791.5 ± 1 500 ± 50 0.0064 s
ν5 ?
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

850 ± 2 850 ± 2 45 ± 8 6.0e-04 m
ν5+νL
bending sym. out-p (wagging)
libration
-C ≡ C-H
C2H2

875 ± 2 875 ± 2 40 ± 10 5.2e-04 m
ν5+νL
bending sym. out-p (wagging)
libration
-C ≡ C-H
C2H2

886 ± 2 886 ± 2 45 ± 10 5.8e-04 m
ν5+νL
bending sym. out-p (wagging)
libration
-C ≡ C-H
C2H2

899 ± 2 899 ± 2 60 ± 10 7.5e-04 m
ν5+νL
bending sym. out-p (wagging)
libration
-C ≡ C-H
C2H2

1094.5 ± 1 1094.5 ± 1 22 ± 3 2.8e-04 w
unknown
unknown
C2H2

1233.5 ± 1 1233.5 ± 1 60 ± 8 7.7e-04 m
unknown
unknown
C2H2

1282 ± 2 1282 ± 2 65 ± 8 8.5e-04 m
2ν4
bending asym.
-C ≡ C-H
C2H2

1374 ± 2 1374 ± 2 400 ± 100 0.00515 s
ν4+ν5
bending asym.
bending sym. out-p (wagging)
-C ≡ C-H
-C ≡ C-H
C2H2

1391.5 ± 1.5 1391.5 ± 1.5 5025 ± 50 0.065 vs
ν4+ν5
bending asym.
bending sym. out-p (wagging)
-C ≡ C-H
-C ≡ C-H
C2H2

1410 ± 1 1410 ± 1 50 ± 20 6.5e-04 s
ν4+ν5
bending asym.
-C ≡ C-H
C2H2

1420 ± 1.5 1420 ± 1.5 1200 ± 50 0.0155 s
ν4+ν5
bending asym.
bending sym. out-p (wagging)
-C ≡ C-H
-C ≡ C-H
C2H2

1709.5 ± 1 1709.5 ± 1 230 ± 30 0.003 m
unknown
unknown
C2H2

1961.5 ± 1 1961.5 ± 1 10 ± 3 1.3e-04 w
unknown
unknown
C2H2

2063 ± 2 2063 ± 2 16 ± 4 2.1e-04 w
ν2+νT
stretching
translation
-C≡ C-
C2H2

2545 ± 1 2545 ± 1 22 ± 2 2.8e-04 w
unknown
unknown
C2H2

2720 ± 2 2720 ± 2 25 ± 5 3.2e-04 w
ν2+ν5
stretching
bending sym. out-p (wagging)
-C≡ C-
-C ≡ C-H
C2H2

2738 ± 1 2738 ± 1 35 ± 7 4.5e-04 m
unknown
unknown
C2H2

2783 ± 1 2783 ± 1 23 ± 5 3.0e-04 w
unknown
unknown
C2H2

3222 ± 1 3222 ± 1 5000 ± 3000 0.064 vs
ν3
stretching asym.
≥ 13C-1H
13C12C1H2

3226 ± 2 3226 ± 2 77600 ± 1000 1 vvs
ν3
stretching asym.
≥ C-H
C2H2

3279.5 ± 1 3279.5 ± 1 16 ± 2 2.1e-04 w
unknown
unknown
C2H2

3307.5 ± 1 3307.5 ± 1 36 ± 3 4.6e-04 m
unknown
unknown
C2H2

3317.5 ± 0.5 3317.5 ± 0.5 6 ± 1 8.0e-05 w
ν1
stretching sym.
≥ C-H
C2H2

3332 ± 1 3332 ± 1 65 ± 5 8.5e-04 m
ν1
stretching sym.
≥ C-H
C2H2

3351 ± 2 3351 ± 2 15 ± 2 1.9e-04 w
ν1
stretching sym.
≥ C-H
C2H2

3392 ± 1 3392 ± 1 24 ± 5 3.0e-04 w
ν2+2ν5
stretching
bending sym. out-p (wagging)
-C≡ C-
-C ≡ C-H
C2H2

3427 ± 2 3427 ± 2 70 ± 10 9.0e-04 m
ν2+2ν5
stretching
bending sym. out-p (wagging)
-C≡ C-
-C ≡ C-H
C2H2

3436 ± 1 3436 ± 1 50 ± 20 6.5e-04 m
ν2+2ν5
stretching
bending sym. out-p (wagging)
-C≡ C-
-C ≡ C-H
C2H2

3857.5 ± 1 3857.5 ± 1 17 ± 1 2.2e-04 w
ν3+ν4
ν2+2ν4+ν5
stretching asym.
bending asym.
stretching
bending asym.
bending sym. out-p (wagging)
≥ C-H
-C ≡ C-H
-C≡ C-
-C ≡ C-H
-C ≡ C-H
C2H2
C2H2



3864 ± 1 3864 ± 1 155 ± 7 0.002 m
ν3+ν4
stretching asym.
≥ C-H
C2H2

3874 ± 2 3874 ± 2 35 ± 10 4.5e-04 w
ν3+ν4
stretching asym.
bending asym.
≥ C-H
-C ≡ C-H
C2H2

3890 ± 4 3890 ± 4 15 ± 5 1.9e-04 w
unknown
unknown
C2H2

3914 ± 1 3914 ± 1 4.5 ± 0.5 5.8e-05 w
unknown
unknown
C2H2

4077 ± 1 4077 ± 1 105 ± 5 0.00135 m
ν1+ν5
stretching sym.
≥ C-H
C2H2

4090 ± 2 4090 ± 2 40 ± 15 5.2e-04 m
ν1+ν5
stretching sym.
bending sym. out-p (wagging)
≥ C-H
C2H2
C2H2

4502.5 ± 1 4502.5 ± 1 16 ± 1.5 2.1e-04 w
ν3+2ν4
stretching asym.
bending asym.
≥ C-H
-C ≡ C-H
C2H2

4686 ± 1.5 4686 ± 1.5 7 ± 2 9.0e-05 w
ν1+ν4+ν5
stretching sym.
bending asym.
bending sym. out-p (wagging)
≥ C-H
-C ≡ C-H
C2H2
C2H2

5176 ± 0.5 5176 ± 0.5 95 ± 5 0.00122 m
5ν4+3ν5
bending asym.
bending sym. out-p (wagging)
-C ≡ C-H
C2H2
C2H2

5185.5 ± 0.5 5185.5 ± 0.5 6 ± 1 7.5e-05 w
5ν4+3ν5
bending asym.
bending sym. out-p (wagging)
-C ≡ C-H
C2H2
C2H2

5276 ± 1 5276 ± 1 10 ± 1 1.3e-04 w
ν1+2ν4+ν5
stretching sym.
bending asym.
bending sym. out-p (wagging)
≥ C-H
-C ≡ C-H
C2H2
C2H2

6421 ± 0.5 6421 ± 0.5 30 ± 5 4.0e-04 m
ν1+ν3
ν2+ν3+2ν4 ?
stretching sym.
stretching asym.
stretching
stretching asym.
bending asym.
≥ C-H
≥ C-H
-C≡ C-
≥ C-H
-C ≡ C-H
C2H2
C2H2



6432 ± 1 6432 ± 1 75 ± 10 9.5e-04 m
ν1+ν3
stretching sym.
stretching asym.
≥ C-H
≥ C-H
C2H2

6442 ± 0.5 6442 ± 0.5 120 ± 15 0.0015 m
ν1+ν3
stretching sym.
stretching asym.
≥ C-H
≥ C-H
C2H2

6456 ± 1 6456 ± 1 20 ± 5 2.5e-04 w
ν1+ν3
stretching sym.
stretching asym.
≥ C-H
≥ C-H
C2H2

6474 ± 2 6474 ± 2 10 ± 5 1.3e-04 w
unknown
unknown
C2H2

Spectral range type(s)
FIR, MIR, NIR
Spectral range(s)
80 - 6500 cm-1
Reference position infrared
3226 cm-1

Versions

Release date
2023-05-07 14:51:48+0000 UTC
Version (Date)
#2 (2023-05-07 14:51:48+0000 UTC, Updated: 2024-12-22 11:06:13+0000 UTC)
History
Invalidate 1710 cm-1 band; Add 1410 cm-1 band. FIR bands with all parameters at 2 temperatures. Add relative intensities over NIR-MIR.
Older version(s)
History
Date Mode Version Status Comments
2023-04-24 20:57:40+0000 UTC first import #1 partly invalidated version Band at 1710 cm-1 has been invalidated (impurity)
Analysis
Compilation of data from Bottger and Eggers (1964), Dows (1966), Anderson et al. (1966, 1985), Smith (1969), Schwartz et al. (1971), Khanna et al. (1988) and Hudson et al. (2014) papers and analysis of the MIR+NIR data in Hudson et al. (2014) paper
Quality flag
4
Validation date
2023-05-07
Validators