首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Local aromaticity of the lowest-lying singlet States of [N]acenes (N = 6-9)
Authors:Poater Jordi  Bofill Josep M  Alemany Pere  Solà Miquel
Abstract:The local aromaticities of the six-membered rings in the two lowest-lying singlet states of n]acenes (n = 6-9) have been assessed by means of three probes of local aromaticity based on structural, magnetic, and electron delocalization properties. Important differences between the local aromaticities of the closed-shell and diradical singlet electronic states are found. Thus, while the inner rings have the largest aromatic character in the closed-shell singlet states, the outer rings become the most aromatic for the diradical singlet states.
Keywords:
本文献已被 PubMed 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号