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

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

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473 K

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

Band: 825

Band: 920

Band: 1130

Band: 1300

Band: 1600

Band: 3030

Position

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 473 K Components K Y(0) c1 c2 c3
ratio # νpeak 473 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.5 1.45 1 826 423 ; 673 831.54 -1.07
0.5 1.45 1 826 573 ; 673 829.49 -0.75
0.0 0.35 1 917 423 ; 623 923.51 -1.29
0.1 0.44 1 1131 423 ; 623 1137.58 -1.32
0.1 0.44 1 1131 423 ; 673 1137.58 -1.32
0.0 1.52 1 1449 423 ; 673 1454.48 -1.11
0.75 1.4 2 1405 423 ; 673 1417.62 -2.53
0.0 0.45 3 1347 423 ; 673 1355.46 -1.7
0.0 0.43 4 1296 423 ; 673 1302.13 -1.18
1.0 2.03 5 1264 423 ; 673 1270.11 -1.33
0.15 1.09 1 1598 423 ; 673 1612.72 -3.04
0.5 0.42 2 3068 423 ; 623 3093.98 -5.44
0.5 0.42 2 3068 423 ; 673 3098.57 -6.38
0.9 4.45 3 3029 423 ; 623 3041.13 -2.51
0.9 4.45 3 3029 423 ; 673 3039.17 -2.11
0.15 13.6 4 2943 423 ; 623 2947.76 -0.99
0.15 13.6 4 2943 423 ; 673 2947.99 -1.03
0.4 4.11 5 2877 423 ; 623 2877.83 -0.15
0.4 4.11 5 2877 423 ; 673 2877.48 -0.08
0.4 3.05 6 2846 423 ; 623 2850.13 -0.78
0.4 3.05 6 2846 423 ; 673 2850.75 -0.91

FWHM

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 473 K Components K Y(0) c1 c2 c3
ratio # νpeak 473 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.5 1.45 1 826 423 ; 673 -5.83 2.79
0.5 1.45 1 826 573 ; 673 -27.25 6.21
0.0 0.35 1 917 423 ; 623 8.9 1.49
0.1 0.44 1 1131 423 ; 623 7.73 2.1
0.1 0.44 1 1131 423 ; 673 10.81 1.48
0.0 1.52 1 1449 423 ; 673 19.8 1.14
0.75 1.4 2 1405 423 ; 673 1.75 4.1
0.0 0.45 3 1347 423 ; 673 10.55 1.94
0.0 0.43 4 1296 423 ; 673 36.51 -2.96
1.0 2.03 5 1264 423 ; 673 0.18 3.99
0.15 1.09 1 1598 423 ; 673 4.68 2.49
0.5 0.42 2 3068 423 ; 623 0.81 2.98
0.5 0.42 2 3068 423 ; 673 -2.27 3.61
0.9 4.45 3 3029 423 ; 623 -11.45 6.27
0.9 4.45 3 3029 423 ; 673 -15.48 7.09
0.15 13.6 4 2943 423 ; 623 17.33 0.76
0.15 13.6 4 2943 423 ; 673 17.17 0.79
0.4 4.11 5 2877 423 ; 623 18.46 2.3
0.4 4.11 5 2877 423 ; 673 17.27 2.55
0.4 3.05 6 2846 423 ; 623 -0.47 4.3
0.4 3.05 6 2846 423 ; 673 -2.44 4.71

Intensity

Components Intensity (cm⁻¹)
νpeak 473 K (cm⁻¹) 373.0 K 423.0 K 473.0 K 523.0 K 573.0 K 623.0 K 673.0 K
826.6 0.06 1.08 1.45 1.46 1.46 1.8 1.99
819.7 0.01 0.35 0.71 0.63 0.54 0.35 0.11
833.9 0.02 0.3 0.69 0.7 0.65 0.67 0.95
917.5 0.22 0.35 0.33 0.3 0.26
1131.4 0.28 0.44 0.44 0.41 0.36 0.23
1449.3 0.96 1.52 1.41 1.27 1.13 0.87
1405.7 0.84 1.4 1.39 1.36 1.27 0.96
1347.5 0.26 0.45 0.44 0.38 0.32 0.18
1296.9 0.36 0.43 0.37 0.29 0.23 0.17
1264.1 1.39 2.03 2.05 2.02 1.95 1.59
1598.5 0.06 0.68 1.09 1.05 0.97 0.89 0.71
1626.8 0.03 0.14 0.23 0.29 0.3 0.28 0.21
3119.5 0.05 0.07 0.07 0.07 0.08 0.11
3068.4 0.24 0.42 0.43 0.41 0.56 0.95
3029.4 2.57 4.45 4.43 4.33 4.47 4.01
2943.1 8.44 13.6 12.67 11.51 10.17 7.39
2877.2 2.3 4.11 3.83 3.57 3.26 2.51
2846.4 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 0.18 23.55 38.36 37.06 34.72 32.62 26.42

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