Naslov
On the electronic structure of some mono- and bisoxazolines

Autori
Kovač, Branka ; Klasinc, Leo ; Raza, Zlata ; Šunjić, Vitomir

Izvornik
Journal of the Chemical Society : Perkin transactions 2 (1472-779X) (1999), 11; 2455-2459

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
electronic structure; oxazolines; bisoxazolines; photoelectron spectra

Sažetak
He I photoelectron (PE) spectra of 2-methyl-4, 5-dihydro-1, 3-oxazole 1, 4-(tert-butyl)-2-{; ; ; ; ; [4-(tert-butyl)-4, 5-dihydro-1, 3-oxazol-2-yl]methyl}; ; ; ; ; -4, 5-dihydro-1, 3-oxazole 2, 4-tert-butyl)-2-{; ; ; ; ; 1-[4-(tert-butyl)-4, 5-dihydro-1, 3-oxazol-2-yl]-1-methylethyl}; ; ; ; ; -4, 5-dihydro-1, 3-oxazole 3, 4-phenyl-2-[(4-phenyl-4, 5-dihydro-1, 3-oxazol-2-yl)methyl]-4, 5-dihydro-1, 3-oxazole 4, 2-[1-methyl-1-(4-phenyl-4, 5-dihydro-1, 3-oxazol-2-yl]ethyl]-4-phenyl-4, 5-dihydro-1, 3-oxazole 5, 2-(4-isopropyl-4, 5-dihydro-1, 3-oxazol-2-yl)phenol 6, N-phenyl-N-[2-(4-phenyl-4, 5-dihydro-1, 3-oxazol-2-yl)phenyl]amine 7, N-methyl-N-[2-(4-phenyl-4, 5-dihydro-1, 3-oxazol-2-yl)phenyl]amine 8, N, N-biphenyl-N-[2-(4-phenyl-4, 5-dihydro-1, 3-oxazol-2-yl)phenyl]amine 9, and [N-[2-(4-isopropyl-4, 5-dihydro-1, 3-oxazol-2-yl)phenyl]-N, N-diphenylamine 10 have been recorded and their valence electronic structure analysed using quantum chemical ab initio and/or PM3 calculations. Also, the discussion of IR, UV spectra and correlation of 13C NMR chemical shifts with total atomic charges is presented.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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