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	CosmicPAHmfit
Date	2024-10-25

Reference/DOI

Information

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

Instruments

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Show full spectra for all temperatures:

Select temperature: 373423473523573623673 K

523 K

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

Band: 720	Band: 840
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	0.41	1	739	473 ; 673	747.49	-1.45
		1.0	0.41	1	739	423 ; 673	747.05	-1.37
		0.9	2.65	1	838	373 ; 673	845.84	-1.43
		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

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	0.41	1	739	473 ; 673	-0.95	1.84
		1.0	0.41	1	739	423 ; 673	-0.32	1.74
		0.9	2.65	1	838	373 ; 673	5.41	1.53
		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)	373.0 K	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	0.08	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	0.08	5.21	7.87	7.46	7.07	6.64	6.19

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