Indene

Aliases	1H-indene indonaphthene
Mass / amu	116.16
Sum formula	C₉H₈
InChI	InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
CAS	95-13-6
PubChem	7219
Structure
AIE / eV	8.14
AIE comment	10.1021/jp5085982

ms-TPES 8-11.5 eV

Citation	10.1021/jp5085982
Type	Mass-selected threshold photoelectron spectrum
Further references	10.1063/1.4984304 10.1016/j.nima.2009.08.069
T / K	300
Source	effusive
Resolution / meV	5
Flux normalization	no
Comments	effusive inlet, iPEPICO setup, 120 V/cm, 100 mass resolution
Date & facility	2013/2014 SLS PSI
Date entered	2023-01-09

PH

FC Simulation X⁺ ²A''

Citation	10.1021/jp5085982
Type	Franck-Condon simulation
Further references	Gaussian 09, eZspectrum
T / K	300
Level of theory	B3LYP/6-311++G(d,p)
Convolution FWHM / meV	25
0-0 transition / eV	8.14
Date & facility	2013/2014 SLS PSI
Date entered	2023-01-09

PH

FC Simulation B⁺ ²A''

Citation	10.1021/jp5085982
Type	Franck-Condon simulation
Further references	Gaussian 09, eZspectrum
T / K	300
Level of theory	TD-B3LYP/6-311++G(d,p)
Convolution FWHM / meV	25
0-0 transition / eV	10.29
Date & facility	2013/2014 SLS PSI
Date entered	2023-01-09

PH