Literature DB >> 18954063

Sigma/pi versus pi/pi conjugation: DFT studies on oligocyclopropenones and related systems.

Daniel B Werz1, Alexander Düfert.   

Abstract

DFT studies on oligocyclopropenones and related systems 5(n)-9(n) are reported. A strong sigma/pi interaction between the pi system and the sigma framework of the three-membered rings is observed in almost all cases, leading to a perpendicular arrangement of the pi systems in the most favored conformation. Also the shape of cyclic congeners is strongly influenced by sigma/pi interactions.

Entities:  

Year:  2008        PMID: 18954063     DOI: 10.1021/ol8022566

Source DB:  PubMed          Journal:  Org Lett        ISSN: 1523-7052            Impact factor:   6.005


  2 in total

1.  Thiete Dioxides as Templates Towards Twisted Scaffolds and Macrocyclic Structures.

Authors:  Andreas N Baumann; Felix Reiners; Alexander F Siegle; Peter Mayer; Oliver Trapp; Dorian Didier
Journal:  Chemistry       Date:  2020-04-28       Impact factor: 5.236

2.  Catalytic Synthesis of Trifluoromethyl Cyclopropenes and Oligo-Cyclopropenes.

Authors:  Uyen P N Tran; Renè Hommelsheim; Zhen Yang; Claire Empel; Katharina J Hock; Thanh V Nguyen; René M Koenigs
Journal:  Chemistry       Date:  2020-01-20       Impact factor: 5.236

  2 in total

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