Croatica Chemica Acta, Vol. 72 No. 1, 1999.
Izvorni znanstveni članak
HeI Photoelectron Spectra of o,o’-Bridged Biphenyls by 2-X-Propylene (X = O, S, SO, NCH3) Chains
Branka Kovač
; Ruđer Bošković Institute, HR-10001 Zagreb, POB 1016, Croatia
Leo Klasinc
; Ruđer Bošković Institute, HR-10001 Zagreb, POB 1016, Croatia
Elena Vukoša
; Ruđer Bošković Institute, HR-10001 Zagreb, POB 1016, Croatia
Linda Lončar-Tomašković
; Department of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, HR-10001 Zagreb, Croatia
Mladen Mintas
; Department of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, HR-10001 Zagreb, Croatia
Sažetak
Hel photoelectron (PE) spectra of 1,11-dimethyl-5,7-dihydro-di-benzo[c,e]oxepine (1), 1,11-dimethyl-5,7-dihydro-dibenzo[c,e]thie-pine (2), 1,11-dimethyl-5,7-dihydro-dibenzo[c,e]thiepine-S-oxide(3), 1,6,11-trimethyl-6,7-dihydro-5H-dibenzo[c,e]azepine (4), and 5,11-di-methyl-4,5,6,10,11,12-hexahydro-5,11-diaza-dibenzo[ef,kl]heptalene (5) have been measured. The low energy region of the spectra has been analyzed using semiempirical PM3, AM1 and MNDO SCF MO calculations (assuming the validity of Koopmans’ theorem (Physica 1 (1934) 104) as well as empirical arguments (Franck-Condon (FC) envelopes) and correlation with PE spectra of similar molecules. Their electronic structure might be responsible for their Chemical properties.
Ključne riječi
Hrčak ID:
132132
URI
Datum izdavanja:
1.3.1999.
Posjeta: 596 *