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
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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1133
WOS:000080264500004