Bandlist 20 20

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

Title
Absorption band list of C2H2 in solid C2H2 (metastable phase)
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Data
Individual bands
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Simple
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Peaks
Data
Unit:  Range: Valid spectral range(s): 500.0 - 5000.0 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 (metastable phase). Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_C2H2_META-C2H2
Publication(s)
Type
absorption
Description
MIR absorption band list of C2H2 in solid C2H2 (metastable phase) at 50 K
Number of bands
20
Comments
the metastable phase of C2H2 is expected to occurs between ~45-65K upon transformation of the amorphous phase
Constituent and primary specie
Constituent
C2H2 - Metastable phase
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
755 ± 3 755 ± 3 37 0.4 vs
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

770 ± 3 770 ± 3 0.15 vs
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

788 ± 3 788 ± 3 0.04 s
ν5
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

1095.5 ± 0.5 1095.5 ± 0.5 5.0e-04 w
unknown
unknown
C2H2

1237.5 ± 0.5 1237.5 ± 0.5 0.0011 m
unknown
unknown
C2H2

1286 ± 0.5 1286 ± 0.5 8.0e-04 w
2ν4
bending asym.
-C ≡ C-H
C2H2

1303 ± 0.5 1303 ± 0.5 9.0e-04 w
2ν4
bending asym.
-C ≡ C-H
C2H2

1371 ± 2 1371 ± 2 0.005 m
ν4+ν5
bending asym.
-C ≡ C-H
C2H2

1390 ± 1 1390 ± 1 31 0.061 s
ν4+ν5
bending asym.
-C ≡ C-H
C2H2

1419 ± 3 1419 ± 3 0.01 m
ν4+ν5
bending asym.
-C ≡ C-H
C2H2

1480.5 ± 1 1480.5 ± 1 5.0e-04 w
2ν5 ?
bending sym. out-p (wagging)
-C ≡ C-H
C2H2

1961 ± 0.5 1961 ± 0.5 0.0023 m
ν2 ?
stretching
-C≡ C-
C2H2

2545.5 ± 1 2545.5 ± 1 2.0e-04 w
unknown
unknown
C2H2

3227 ± 0.5 3227 ± 0.5 11 1 vs
ν3
stretching asym.
≥ C-H
C2H2

3243.5 ± 1 3243.5 ± 1 0.22 vs
ν3
stretching asym.
≥ C-H
C2H2

3328.5 ± 0.5 3328.5 ± 0.5 8.0e-04 w
ν1
stretching sym.
≥ C-H
C2H2

3862 ± 2 3862 ± 2 20 0.0035 m
ν3+ν4
stretching asym.
bending asym.
≥ C-H
-C ≡ C-H
C2H2

3877 ± 2 3877 ± 2 0.001 w
ν3+ν4
stretching asym.
≥ C-H
C2H2

3949 ± 2 3949 ± 2 2.0e-04 w
unknown
unknown
C2H2

4075.5 ± 1 4075.5 ± 1 0.0027 m
ν1+ν5
stretching sym.
≥ C-H
C2H2

Spectral range type(s)
MIR
Spectral range(s)
500 - 5000 cm-1
Reference position infrared
3226 cm-1

Versions

Release date
2023-05-07 10:50:14+0000 UTC
Version (Date)
#1 (2023-05-07 10:50:14+0000 UTC, Updated: 2024-12-22 11:06:03+0000 UTC)
History
Date Mode Version Status Comments
2023-05-07 10:48:01+0000 UTC first import #1 valid version
Analysis
Compilation of data from Boudin et al. (1998) and Hudson et al. (2014) papers and analysis of the MIR+NIR data in Hudson et al. (2014) paper
Quality flag
3
Validation date
2023-05-07
Validators