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.
|Number of pages||6|
|Journal||Journal of Electron Spectroscopy and Related Phenomena|
|Publication status||Published - 2016|