N-Carbazolyl

Mass / amu	166.2
Sum formula	C₁₂H₈N
InChI	InChI=1S/C12H8N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
PubChem	5382536
Structure
AIE / eV	7.7
AIE comment	10.1021/acs.jpca.4c05855

7.3-9.4 eV ms-TPES

Citation	10.1021/acs.jpca.4c05855
Type	Mass-selected threshold photoelectron spectrum
Further references	10.1016/j.nima.2009.08.069 10.1063/1.4984304
T / K	800
Source	Pyrolysis
Resolution / meV	10
Flux normalization	no
Comments	Sample (N-nitrosocarbazole) heated to 50 °C, diluted at 150 mbar in He, 10-20 sccm flow rate, expansion through a 150 μm pinhole and subsequent pyrolysis, mass resolution 200, field: 213 V/cm, i2PEPICO (CRF) setup.
Date & facility	2023, SLS
Date entered	2024-10-29

MS, PH

FC Simulation ¹A₁state

Citation	10.1021/acs.jpca.4c05855
Type	Franck-Condon simulation
Further references	Gaussian 16 A.03
T / K	800
Level of theory	M06-2X/6-311++G**
Convolution FWHM / meV	25
0-0 transition / eV	7.70
Comments	Simulation shifted to the experimental fundamental transition at 7.70 eV.
Date & facility	2024, Bochum
Date entered	2024-10-29

MS, PH

FC Simulation ³B₂ state

Citation	10.1021/acs.jpca.4c05855
Type	Franck-Condon simulation
Further references	Gaussian 16 A.03
T / K	800
Level of theory	M06-2X/6-311++G**
Convolution FWHM / meV	25
0-0 transition / eV	8.14
Comments	Simulation shifted to the experimental fundamental transition at 8.14 eV.
Date & facility	2024, Bochum
Date entered	2024-10-29

MS, PH