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) 423-673
Spectral range (cm-1) 8000-350

Analysis

cosmicPAHmfit
2024-10-16
IRAP, Toulouse, France
Published: Anyone can see these data.

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473 K

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Range: 825

Range: 920

Range: 1130

Range: 1300

Range: 1600

Range: 3030

Position

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 1 826 573 ; 673 829.49 -0.75
0.5 1.45 1 826 423 ; 573 832.16 -1.2
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 573 ; 673 1458.83 -1.8
0.0 1.52 1 1449 423 ; 523 1452.52 -0.7
0.75 1.4 2 1405 423 ; 673 1417.62 -2.53
0.0 0.45 3 1347 523 ; 623 1358.77 -2.3
0.0 0.45 3 1347 423 ; 523 1354.57 -1.5
0.0 0.43 4 1296 573 ; 673 1295.24 -0.1
0.0 0.43 4 1296 423 ; 573 1303.7 -1.5
1.0 2.03 5 1264 573 ; 673 1274.88 -2.1
1.0 2.03 5 1264 473 ; 573 1270.26 -1.3
0.15 1.09 1 1598 423 ; 673 1612.72 -3.04
0.5 0.42 2 3068 573 ; 673 3120.12 -9.81
0.5 0.42 2 3068 423 ; 573 3088.88 -4.36
0.9 4.45 3 3029 523 ; 673 3035.94 -1.58
0.9 4.45 3 3029 423 ; 523 3041.08 -2.49
0.15 13.6 4 2943 523 ; 673 2948.73 -1.15
0.15 13.6 4 2943 423 ; 523 2947.09 -0.84
0.4 4.11 5 2877 523 ; 673 2875.66 0.22
0.4 4.11 5 2877 423 ; 523 2879.58 -0.52
0.4 3.05 6 2846 523 ; 673 2851.86 -1.09
0.4 3.05 6 2846 423 ; 523 2850.04 -0.76

FWHM

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 1 826 573 ; 673 -27.25 6.21
0.5 1.45 1 826 423 ; 573 4.07 0.74
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 573 ; 673 16.19 1.71
0.0 1.52 1 1449 423 ; 523 20.45 1.01
0.75 1.4 2 1405 423 ; 673 1.75 4.1
0.0 0.45 3 1347 523 ; 623 16.71 1.07
0.0 0.45 3 1347 423 ; 523 -5.61 5.36
0.0 0.43 4 1296 573 ; 673 16.32 0.27
0.0 0.43 4 1296 423 ; 573 46.23 -4.98
1.0 2.03 5 1264 573 ; 673 -8.54 5.4
1.0 2.03 5 1264 473 ; 573 -2.28 4.32
0.15 1.09 1 1598 423 ; 673 4.68 2.49
0.5 0.42 2 3068 573 ; 673 -17.31 6.0
0.5 0.42 2 3068 423 ; 573 4.08 2.29
0.9 4.45 3 3029 523 ; 673 -25.86 8.78
0.9 4.45 3 3029 423 ; 523 -5.15 4.92
0.15 13.6 4 2943 523 ; 673 16.37 0.92
0.15 13.6 4 2943 423 ; 523 17.24 0.78
0.4 4.11 5 2877 523 ; 673 15.06 2.89
0.4 4.11 5 2877 423 ; 523 15.55 2.94
0.4 3.05 6 2846 523 ; 673 -8.25 5.65
0.4 3.05 6 2846 423 ; 523 5.07 3.11

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 1.08 1.45 1.46 1.46 1.8 1.99
819.7 0.35 0.71 0.63 0.54 0.35 0.11
833.9 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 0.09 23.55 38.36 37.06 34.72 32.62 26.42

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