1-methylpyrene : C17H12 - Gas - Experimental


Species

Name 1-methylpyrene
Formula C17H12
Structure
Phase Gas
Conformer
1.0

Experiment

Category Experimental
Instruments ESPOIRS
Temperature range (K) 373-623
Spectral range (cm-1) 8000-350

Analysis

CosmicPAH mfit
2025-05-09
K. Demyk (karine.demyk@cnrs.fr)
IRAP, Toulouse, France
K. Demyk (IRAP)
Published: Anyone can see these data.

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573 K

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

Band: 740

Band: 840

Band: 3030

Position

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 573 K Components K Y(0) c1 c2 c3
ratio # νpeak 573 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.9 0.31 1 749 423 ; 623 756.01 -1.14
0.9 0.31 1 749 473 ; 623 756.15 -1.17
0.75 0.6 4 708 423 ; 623 715.17 -1.12
0.75 0.6 4 708 473 ; 623 715.16 -1.11
0.8 1.81 1 840 423 ; 623 846.28 -1.06
0.8 1.81 1 840 473 ; 623 846.46 -1.09
0.95 4.92 1 3048 423 ; 623 3061.01 -2.14
0.95 4.92 1 3048 473 ; 623 3061.56 -2.23
0.1 0.2 2 2981 423 ; 623 2978.41 0.46
0.1 0.2 2 2981 473 ; 623 2981.69 -0.11
0.2 0.16 3 2958 423 ; 623 2951.72 1.16
0.2 0.16 3 2958 473 ; 623 2951.33 1.23
0.3 0.54 4 2936 423 ; 623 2943.53 -1.27
0.3 0.54 4 2936 473 ; 623 2944.25 -1.39
0.3 0.37 5 2877 423 ; 623 2880.97 -0.52
0.3 0.37 5 2877 473 ; 623 2883.6 -0.98
0.0 0.19 6 2908 423 ; 623 2904.17 0.93
0.0 0.19 6 2908 473 ; 623 2920.93 -1.99

FWHM

Band range Lorentzian Intensity Selected Fit range Origin Anharmonicity factors
μm cm⁻¹ Gaussian At 573 K Components K Y(0) c1 c2 c3
ratio # νpeak 573 K (cm⁻¹) cm⁻¹ 10² cm⁻¹.T⁻¹ 10⁴ cm⁻¹.T⁻² 10⁶ cm⁻¹.T⁻³
0.9 0.31 1 749 423 ; 623 3.55 0.45
0.9 0.31 1 749 473 ; 623 4.89 0.22
0.75 0.6 4 708 423 ; 623 1.36 0.78
0.75 0.6 4 708 473 ; 623 2.82 0.52
0.8 1.81 1 840 423 ; 623 -0.85 1.49
0.8 1.81 1 840 473 ; 623 1.4 1.1
0.95 4.92 1 3048 423 ; 623 8.57 2.31
0.95 4.92 1 3048 473 ; 623 5.8 2.8
0.1 0.2 2 2981 423 ; 623 24.62 -1.8
0.1 0.2 2 2981 473 ; 623 23.91 -1.68
0.2 0.16 3 2958 423 ; 623 15.41 -0.34
0.2 0.16 3 2958 473 ; 623 14.56 -0.19
0.3 0.54 4 2936 423 ; 623 4.31 2.01
0.3 0.54 4 2936 473 ; 623 0.27 2.71
0.3 0.37 5 2877 423 ; 623 -7.59 5.16
0.3 0.37 5 2877 473 ; 623 0.13 3.81
0.0 0.19 6 2908 423 ; 623 37.22 -2.5
0.0 0.19 6 2908 473 ; 623 40.3 -3.03

Intensity

Components Intensity (cm⁻¹)
νpeak 573 K (cm⁻¹) 423.0 K 473.0 K 523.0 K 573.0 K 623.0 K
749.5 0.06 0.39 0.35 0.31 0.29
757.2 0.02 0.07 0.06 0.05 0.05
742.2 0.03 0.09 0.08 0.07 0.05
708.8 0.1 0.73 0.65 0.6 0.59
715.6 0.03 0.16 0.16 0.13 0.1
701.8 0.05 0.2 0.21 0.18 0.15
840.2 0.28 2.23 1.98 1.81 1.8
847.5 0.14 0.57 0.54 0.46 0.38
833.1 0.17 0.72 0.67 0.58 0.48
822.0 0.08 0.33 0.36 0.4 0.41
3048.8 1.02 5.84 5.47 4.92 4.44
2981.4 0.07 0.34 0.29 0.2 0.12
2958.8 0.06 0.28 0.22 0.16 0.12
2936.4 0.11 0.58 0.57 0.54 0.46
2877.7 0.06 0.43 0.41 0.37 0.3
2908.9 0.04 0.29 0.26 0.19 0.12
Total intensity 2.33 13.25 12.28 10.97 9.86

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Analysis

Anharmonicity Tables