Affiliation:
1. Department of Chemistry University of Houston Houston TX 77204 USA
2. Department of Chemistry & Biochemistry and the Materials Science Institute University of Oregon Eugene OR 97403-1253 USA
Abstract
AbstractWhether tetra‐tert‐butyl‐s‐indacene is a symmetric D2h structure or a bond‐alternating C2h structure remains a standing puzzle. Close agreement between experimental and computed proton chemical shifts based on minima structures optimized at the M06‐2X, ωB97X‐D, and M11 levels confirm a bond‐localized C2h symmetry, which is consistent with the expected strong antiaromaticity of TtB‐s‐indacene.
Funder
National Science Foundation
Alfred P. Sloan Foundation
National Institute of General Medical Sciences
Subject
General Chemistry,Catalysis
Cited by
12 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献