4,5-dihydropyrene : C16H12 - Solid - Experimental


Species

Name 4,5-dihydropyrene
Formula C16H12
Structure
Phase Solid
Conformer
1.0

Experiment

Category Experimental
Instruments ESPOIRS
Temperature range (K) 300-723
Spectral range (cm-1) 8000-760

Analysis

cosmicPAHmfit
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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523 K

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

Band: 710

Band: 840

Band: 1180

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
1.0 4.8 1 708 300 ; 373 712.94 -0.89
1.0 4.8 1 708 300 ; 723 712.9 -0.87
1.0 4.8 1 708 423 ; 723 712.98 -0.89
0.4 2.16 3 742 300 ; 373 754.29 -1.69
0.4 2.16 3 742 300 ; 723 755.62 -2.34
0.4 2.16 3 742 423 ; 723 750.66 -1.53
1.0 12.51 1 837 423 ; 723 844.1 -1.23
1.0 1.71 1 1181 300 ; 373 1187.89 -1.04
1.0 1.71 1 1181 423 ; 723 1184.17 -0.52
0.7 2.84 1 1593 423 ; 723 1603.52 -2.02
1.0 11.05 1 3040 423 ; 673 3044.95 -0.88
1.0 11.05 1 3040 423 ; 723 3044.79 -0.85
0.9 2.15 2 2931 423 ; 673 2931.54 -0.02
0.9 2.15 2 2931 423 ; 723 2931.73 -0.06
0.0 0.36 3 2888 423 ; 673 2887.33 0.22
0.0 0.36 3 2888 423 ; 723 2888.25 0.04
0.0 0.23 4 2859 423 ; 673 2865.22 -1.22
0.0 0.23 4 2859 423 ; 723 2866.12 -1.39
0.7 0.5 5 2831 423 ; 673 2831.44 0.04
0.7 0.5 5 2831 423 ; 723 2831.7 -0.01

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
1.0 4.8 1 708 300 ; 373 1.41 0.1
1.0 4.8 1 708 300 ; 723 -0.07 0.61
1.0 4.8 1 708 423 ; 723 1.1 0.42
0.4 2.16 3 742 300 ; 373 3.99 0.44
0.4 2.16 3 742 300 ; 723 3.39 0.9
0.4 2.16 3 742 423 ; 723 9.16 -0.04
1.0 12.51 1 837 423 ; 723 5.0 0.52
1.0 1.71 1 1181 300 ; 373 0.14 0.76
1.0 1.71 1 1181 423 ; 723 0.93 0.83
0.7 2.84 1 1593 423 ; 723 10.89 1.86
1.0 11.05 1 3040 423 ; 673 25.1 0.45
1.0 11.05 1 3040 423 ; 723 23.35 0.8
0.9 2.15 2 2931 423 ; 673 35.93 -0.8
0.9 2.15 2 2931 423 ; 723 34.97 -0.61
0.0 0.36 3 2888 423 ; 673 14.09 1.41
0.0 0.36 3 2888 423 ; 723 11.05 2.01
0.0 0.23 4 2859 423 ; 673 9.38 3.02
0.0 0.23 4 2859 423 ; 723 13.31 2.24
0.7 0.5 5 2831 423 ; 673 17.54 -0.05
0.7 0.5 5 2831 423 ; 723 14.78 0.5

Intensity

Components Intensity (cm⁻¹)
νpeak 523 K (cm⁻¹) 300.0 K 323.0 K 373.0 K 423.0 K 473.0 K 523.0 K 573.0 K 623.0 K 673.0 K 723.0 K
708.4 3.23 3.26 3.32 4.34 4.6 4.8 5.03 5.31 5.61 5.93
722.8 0.63 0.64 0.67 0.85 0.94 1.03 1.11 1.16 1.14 1.01
742.5 1.94 1.93 1.92 2.05 2.06 2.16 2.28 2.42 2.54 2.62
752.2 0.51 0.53 0.55 0.38 0.42 0.43 0.44 0.44 0.43 0.4
837.7 11.52 12.15 12.51 12.89 13.31 13.78 14.23
827.7 1.97 1.95 1.91 1.8 1.58 1.22 0.81
820.2 0.48 0.47 0.5 0.57 0.68 0.84 0.84
1181.5 1.44 1.46 1.5 1.71 1.7 1.71 1.74 1.79 1.84 1.88
1593.0 2.83 2.88 2.84 2.77 2.65 2.49 2.47
1660.3 0.07 0.08 0.08 0.1 0.11 0.11 0.12
1637.8 0.65 0.58 0.48 0.37 0.28 0.28 0.33
1543.1 0.06 0.05 0.04 0.02 0.01 0.0 0.02
3040.4 10.43 10.86 11.05 11.68 11.68 12.03 13.0
2931.3 2.29 2.22 2.15 2.06 2.07 1.88 1.88
2888.7 0.39 0.37 0.36 0.37 0.36 0.35 0.38
2859.3 0.21 0.21 0.23 0.2 0.22 0.21 0.23
2831.5 0.59 0.54 0.5 0.45 0.43 0.35 0.36
Total intensity 7.77 7.82 7.96 40.81 42.07 42.75 43.87 44.48 45.1 46.53

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Analysis

Anharmonicity Tables