Pyrene : C16H10 - Gas - Experimental


Species

Name Pyrene
Formula C16H10
Structure
Phase Gas
Conformer
1.0

Experiment

Category Experimental
Instruments ESPOIRS
Temperature range (K) 423-673
Spectral range (cm-1) 7000-350

Analysis

CosmicPAHmfit
2024-10-25
K. Demyk (karine.demyk@cnrs.fr)
IRAP, Toulouse, France
K. Demyk (IRAP)
L. de Bentzmann (IRAP)
Published: Anyone can see these data.

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523 K

Available ranges for this dataset.
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Range: 720

Range: 840

Range: 3030

Position

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 0.41 1 739 423 ; 673 747.05 -1.37
1.0 1.31 2 708 423 ; 673 714.16 -1.0
0.9 2.65 1 838 423 ; 673 846.18 -1.48
0.562 3.09 1 3051 523 ; 673 3063.43 -2.31
0.562 3.09 1 3051 423 ; 673 3062.52 -2.16

FWHM

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 0.41 1 739 423 ; 673 -0.32 1.74
1.0 1.31 2 708 423 ; 673 4.23 1.2
0.9 2.65 1 838 423 ; 673 3.37 1.88
0.562 3.09 1 3051 523 ; 673 11.96 2.36
0.562 3.09 1 3051 423 ; 673 14.62 1.93

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
740.0 0.27 0.41 0.41 0.4 0.39 0.37
709.0 0.84 1.31 1.31 1.25 1.18 1.1
838.5 1.82 2.77 2.65 2.55 2.43 2.31
3051.3 2.29 3.38 3.09 2.87 2.65 2.4
Total intensity 5.21 7.87 7.46 7.07 6.64 6.19

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523 K

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Analysis

Anharmonicity Tables