HeI photoelectron spectra of o,o '-bridged biphenyls by 2-X-propylene (X = O, S, SO, NCH3) chains

Kovač, Branka; Klasinc, Leo; Vukoša, Elena; Lončar-Tomašković, Linda; Mintas, Mladen (1999) HeI photoelectron spectra of o,o '-bridged biphenyls by 2-X-propylene (X = O, S, SO, NCH3) chains. Croatica Chemica Acta, 72 (1). pp. 43-54. ISSN 0011-1643

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Abstract

HeI photoelectron (PE) spectra of 1,11-dimethyl-5,7-dihydro-dibenzo[c,e]oxepine (1), 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.

Item Type:	Article
Uncontrolled Keywords:	orbital theory; sulfides
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	Division of Physical Chemistry
Projects:	Project title Project leader Project code Project type Reaktivnost i reakcijski mehanizmi Leo Klasinc 00980604 MZOS Sinteza-struktura-antivirusna i antitumorska ispitivanja Mladen Mintas 125003 MZOS
Depositing User:	Branka Kovač
Date Deposited:	26 Nov 2013 13:09
Last Modified:	05 Mar 2014 15:23
URI:	http://fulir.irb.hr/id/eprint/1133

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