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Electronic structure of 11H-dibenz(b, f)azepines


Novak, Igor; Klasinc, Leo; McGlynn, Sean P.
Electronic structure of 11H-dibenz(b, f)azepines // Journal of Electron Spectroscopy and Related Phenomena, 212 (2016), 56-61 doi:10.1016/j.elspec.2016.09.001 (međunarodna recenzija, članak, znanstveni)


Naslov
Electronic structure of 11H-dibenz(b, f)azepines

Autori
Novak, Igor ; Klasinc, Leo ; McGlynn, Sean P.

Izvornik
Journal of Electron Spectroscopy and Related Phenomena (0368-2048) 212 (2016); 56-61

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

Ključne riječi
Photoelectron spectroscopy ; Dibenzazepines ; Antidepressants

Sažetak
The electronic structures and conformers of several 11H-Dibenz(b, f)azepines (DBA) have been studied by UV photoelectron spectroscopy (UPS) and quantum chemistry calculations. The main features of the electronic structure of DBA derivatives are discussed. The molecular structures of all the molecules studied are nonplanar with the central aza-cycloheptene ring in boat conformation. The keto derivative has the smallest deviation from planarity experienced of the aza-cycloheptene ring.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982915-2945 - Spektroskopija, kemijska svojstva i reakcije biološki aktivnih molekula (Branka Kovač, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Autor s matičnim brojem:
Leo Klasinc, (21130)

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


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