Pyrene : C₁₆H₁₀ - Gas - Experimental

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Species

Name	Pyrene
Formula	C16H10
Structure
Phase	Gas
Conformer
Sample purity	1.0

Experiment

Category	Experimental
Instruments	ESPOIRS
Temperature range (K)	373-673
Spectral range (cm-1)	7000-350

Analysis

Tool	CosmicPAH mfit
Date	2024-10-25

Reference/DOI https://doi.org/10.48550/arXiv.2607.16018

Information

Data provider	K. Demyk (karine.demyk@cnrs.fr)
Laboratory	IRAP, Toulouse, France
Data handling	K. Demyk (IRAP)
Version
Visibility	Published: Anyone can see these data.

Instruments

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Select temperature: 373423473523573623673 K

523 K

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

Band: 720	Band: 825
Band: 3300

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
		0.41	0.16	1	739	473 ; 673	746.44	-1.24
		0.41	0.16	1	739	423 ; 673	746.24	-1.2
		0.41	0.26	2	709	523 ; 673	714.58	-0.97
		0.41	0.26	2	709	423 ; 673	714.21	-0.91
		1.0	1.03	1	839	523 ; 673	846.55	-1.44
		1.0	1.03	1	839	423 ; 673	846.26	-1.39
		0.562	3.09	1	3051	523 ; 673	3063.42	-2.31
		0.562	3.09	1	3051	423 ; 673	3062.52	-2.16

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
		0.41	0.16	1	739	473 ; 673	1.39	0.6
		0.41	0.16	1	739	423 ; 673	1.08	0.65
		0.41	0.26	2	709	523 ; 673	-6.11	1.89
		0.41	0.26	2	709	423 ; 673	-3.43	1.46
		1.0	1.03	1	839	523 ; 673	3.66	0.6
		1.0	1.03	1	839	423 ; 673	2.6	0.77
		0.562	3.09	1	3051	523 ; 673	5.7	2.29
		0.562	3.09	1	3051	423 ; 673	10.03	1.59

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	0.1	0.15	0.16	0.16	0.14	0.12
709.5	0.17	0.25	0.26	0.3	0.39	0.45
747.3	0.08	0.11	0.1	0.09	0.08	0.06
733.4	0.09	0.15	0.17	0.19	0.22	0.25
716.6	0.18	0.27	0.27	0.26	0.19	0.14
705.4	0.39	0.63	0.58	0.5	0.38	0.29
839.0	0.73	1.07	1.03	0.93	0.82	0.72
847.5	0.22	0.35	0.37	0.39	0.4	0.39
834.2	0.68	1.07	0.98	0.95	0.93	0.93
3051.3	2.29	3.38	3.09	2.87	2.65	2.4
Total intensity	4.94	7.44	7.03	6.63	6.2	5.76

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