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

被引：1
|
作者：
Novak, Igor [1 ]
Klasinc, Leo [2 ]
McGlynn, Sean P. [3 ]
机构：
[1] Charles Sturt Univ, POB 883, Orange, NSW 2800, Australia
[2] Rudjer Boskovic Inst, Dept Phys Chem, HR-10002 Zagreb, Croatia
[3] Louisiana State Univ, Baton Rouge, LA 70803 USA
来源：
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 2016年 / 212卷
关键词：
Photoelectron spectroscopy; Dibenzazepines; Antidepressants; AZEPINE;
D O I：
10.1016/j.elspec.2016.09.001
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
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. (C) 2016 Elsevier B.V. All rights reserved.
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页码：56 / 61
页数：6
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