Pregled bibliografske jedinice broj: 30881
HeI photoelectron spectra of o,o'-bridged biphenyls by 2-X-propylene (X = O, S, SO, NCH3)chains
HeI photoelectron spectra of o,o'-bridged biphenyls by 2-X-propylene (X = O, S, SO, NCH3)chains // Croatica chemica acta, 72 (1999), 1; 43-54 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 30881 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
HeI photoelectron spectra of o,o'-bridged biphenyls by 2-X-propylene (X = O, S, SO, NCH3)chains
Autori
Kovač, Branka ; Klasinc, Leo ; Vukoša, Elena ; Lončar-Tomašković, Linda ; Mintas, Mladen
Izvornik
Croatica chemica acta (0011-1643) 72
(1999), 1;
43-54
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
photoelectron spectra; bridged biphenyls; semiempirical PM3; AM1 and MNDO SCF MO calculations
Sažetak
HeI photoelectron (PE) spectra of 1,11-dimethyl-5,7-dihydro-dibenzo(c,e)thiepine (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-dimethyl-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.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
