Binding energies of π- and “lone-pair”-levels in mono- and diaza-phenanthrenes and anthracenes: An He(I) photoelectron spectroscopic study

Theoretical Study on Molecules of Interstellar Interest. II. Radical Cation of Compact Polycyclic Aromatic Hydrocarbons

“…[12, 8,8,10] (ν 65 ,ν 20 ,ν 50 ,ν 23 ) (10,12,10,14) [10,10,8,12] (ν 10 ,ν 12 ,ν 64 ,ν 22 ) (4,6,10,20) [10, 8,8,12] (ν 19 ,ν 51 ,ν 13 ,ν 6 ) (8,10,8,14) [8,10,10,12] (ν 62 ,ν 11 ,ν 58 ,ν 7 ) (8,10,8,6) [10,8,12,10] Py + (ν 11 ,ν 26 ,ν 65 ,ν 8 ) (8,8,35,15) [14,8,12,10] (ν 33 ,ν 10 ,ν 52 ,ν 64 ) (6,4,16,12) [8,14,10,12] (ν 5 ,ν 32 ,ν 12 ,ν 59 ) (8,6,12,6) [12,12,14,10] (ν 7 ,ν 53 ,ν 44 (8,4,4,14) [12,10,8,10] (ν 9 ,ν 12 ,ν 60 ,ν 19 ) (10, 4,6,20) [10,12,8,10] (ν 6 ,ν 54 ,ν 48 ,ν 14 ) (10,4,6,18) [8,12,10,10] (ν 59 ,ν 10 ,ν 20 ,ν 8 ) (18,10,18,10)…”

“…[32][33][34][35][36] It is noted that high resolution gas phase spectral studies such as matrix isolation measurements on these systems and also the data recorded by stellar spectroscopists are the major input to establish the PAH-DIB hypothesis. From literature, these molecular cations are predicted to be the carrier of the DIBs.…”

Photoelectron Spectroscopy of Heterocycles. Fluorene Analogues

“…The main differences are within the system at 11.03 eV in the former, wrhich can be attributed to ^-ionizations mainly localized on C-H bonds at position 9 and 10. Earlier assignments on phen anthrene agree that the top four systems arise from ^-ionizations [15,16]. The simple matrix procedure for phenanthrene performed in the same manner as for the other fluorene analogues wT ith the 71-ioniza tions for ethylene at 10.51 eV [14] does not produce so satisfactory results.…”

Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] However, most of the assignments and interpretations that have been reported so far are very uncertain and largely incomplete, since they were guided ͑see, e.g., Refs. Much information on their electronic structure and the vibrational motions of their cations has been obtained since the seventies from gas-phase measurements of their valence ionization spectra.…”