1,2,3,6,7,8-hexahydropyrene : C16H16 - Gas - Experimental


Species

Name 1,2,3,6,7,8-hexahydropyrene
Formula C16H16
Structure
Phase Gas
Conformer
1.0

Experiment

Category Experimental
Instruments ESPOIRS
Temperature range (K) 373-673
Spectral range (cm-1) 8000-350

Analysis

CosmicPAH mfit
2024-10-16
K. Demyk (karine.demyk@cnrs.fr)
IRAP, Toulouse, France
K. Demyk (IRAP)
Published: Anyone can see these data.

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523 K

Available bands for this dataset.
Click on a band number to get more details.

Band: 825

Band: 1400

Band: 1600

Band: 3030

Position

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 523 K Components K Y(0) c1 c2 c3
ratio # νpeak 523 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.5 1.46 1 825 423 ; 573 832.17 -1.2
0.5 1.46 1 825 573 ; 673 829.49 -0.75
0.0 1.41 1 1448 423 ; 523 1452.51 -0.7
0.0 1.41 1 1448 573 ; 673 1458.81 -1.8
0.75 1.39 2 1404 423 ; 523 1418.44 -2.7
0.75 1.39 2 1404 573 ; 673 1415.55 -2.2
1.0 2.05 5 1263 473 ; 573 1270.27 -1.3
1.0 2.05 5 1263 573 ; 673 1274.88 -2.1
0.15 1.05 1 1597 423 ; 673 1612.72 -3.04
0.9 4.43 3 3027 523 ; 623 3040.21 -2.35
0.15 12.67 4 2942 423 ; 523 2947.1 -0.85
0.9 4.43 3 3027 423 ; 523 3041.08 -2.49
0.15 12.67 4 2942 523 ; 673 2948.71 -1.15
0.4 3.83 5 2876 423 ; 523 2879.58 -0.53
0.4 3.83 5 2876 523 ; 673 2875.67 0.22
0.4 2.92 6 2846 423 ; 523 2850.02 -0.76
0.4 2.92 6 2846 523 ; 673 2851.89 -1.09
0.0 2.16 7 2916 423 ; 623 2916.3 0.0 0.0

FWHM

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 523 K Components K Y(0) c1 c2 c3
ratio # νpeak 523 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.5 1.46 1 825 423 ; 573 4.07 0.74
0.5 1.46 1 825 573 ; 673 -27.23 6.21
0.0 1.41 1 1448 423 ; 523 18.18 0.18
0.0 1.41 1 1448 573 ; 673 11.2 1.44
0.75 1.39 2 1404 423 ; 523 -1.48 3.46
0.75 1.39 2 1404 573 ; 673 -2.29 3.68
1.0 2.05 5 1263 473 ; 573 -6.29 3.85
1.0 2.05 5 1263 573 ; 673 -13.44 5.12
0.15 1.05 1 1597 423 ; 673 0.09 2.15
0.9 4.43 3 3027 523 ; 623 -29.26 8.2
0.15 12.67 4 2942 423 ; 523 14.9 -0.04
0.9 4.43 3 3027 423 ; 523 -7.46 4.09
0.15 12.67 4 2942 523 ; 673 10.19 0.83
0.4 3.83 5 2876 423 ; 523 13.25 2.11
0.4 3.83 5 2876 523 ; 673 8.79 2.83
0.4 2.92 6 2846 423 ; 523 2.73 2.29
0.4 2.92 6 2846 523 ; 673 -14.46 5.58
0.0 2.16 7 2916 423 ; 623 28.4 -0.34

Intensity

Components Intensity (cm⁻¹)
νpeak 523 K (cm⁻¹) 423.0 K 473.0 K 523.0 K 573.0 K 623.0 K 673.0 K
825.9 1.08 1.45 1.46 1.46 1.8 1.99
818.4 0.35 0.71 0.63 0.54 0.35 0.11
833.8 0.3 0.69 0.7 0.65 0.67 0.95
1448.8 0.96 1.52 1.41 1.27 1.13 0.87
1404.3 0.84 1.4 1.39 1.36 1.27 0.96
1346.7 0.26 0.45 0.44 0.38 0.32 0.18
1296.0 0.36 0.43 0.37 0.29 0.23 0.17
1263.5 1.39 2.03 2.05 2.02 1.95 1.59
1597.0 0.68 1.09 1.05 0.97 0.89 0.71
1626.2 0.14 0.23 0.29 0.3 0.28 0.21
3115.8 0.05 0.07 0.07 0.07 0.08 0.11
3066.0 0.24 0.42 0.43 0.41 0.56 0.95
3028.0 2.57 4.45 4.43 4.33 4.47 4.01
2942.7 8.44 13.6 12.67 11.51 10.17 7.39
2876.8 2.3 4.11 3.83 3.57 3.26 2.51
2846.1 1.93 3.05 2.92 2.76 2.58 1.94
2916.3 1.17 1.87 2.16 2.11 1.99 1.53
Total intensity 23.04 37.56 36.29 34.01 32.0 26.19

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