Theoretical Study on Regioselectivity of the Diels-Alder Reaction between 1,8-Dichloroanthracene and Acrolein

A theoretical study of the regioselectivity of the Diels-Alder reaction between 1,8-dichloroanthracene and acrolein is performed using DFT at the B3LYP/6-31G(d,p) level of theory. The FMO analysis, global and local reactivity indices confirmed the reported experimental results. Potential energy surf...

Full beskrivning

Sparad:
Bibliografiska uppgifter
I publikationen:Molecules
Huvudupphovsmän: Sultan, Mujeeb A., Karama, Usama, Almansour, Abdulrahman I., Soliman, Saied M.
Materialtyp: Artigo
Språk:Inglês
Publicerad: MDPI 2016
Ämnen:
Article
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC6272940/
https://ncbi.nlm.nih.gov/pubmed/27669204
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules21101277
Taggar: Lägg till en tagg
Inga taggar, Lägg till första taggen!

Liknande verk