Synthesis and DFT calculations of aza-Michael adducts obtained from degradation poly(methyl methacrylate) plastic wastes Online publication date: Mon, 18-Nov-2019
by Asmaa M. Fahim; Ahmad M. Farag; Galal A.M. Nawwar; El Sayed M.A. Yakout; Eman A. Ragab
International Journal of Environment and Waste Management (IJEWM), Vol. 24, No. 4, 2019
Abstract: Aza-Michael adducts are obtained in excellent yields by the conjugate addition of nucleophilic reagents with α,β-unsaturated substrates such as methyl methacrylate (MMA), which were obtained from degradation poly(methyl methacrylate) plastic wastes using green energy source and were used as usuful precoursors for the synthesis of novel heterocycles, such as pyrazole, isochromene, quinolone, and amino isoxazole. Density functional theory (DFT) calculations at the B3LYP/6-311G level of theory have been carried out to investigate the stability of isochromene and quinolone. Moreover, HOMO and LUMO energy, total energy, and atomic Mulliken charges were calculated. The dipole moment and orientation of the two p-isoelectronic isochromene 15 and quinolone 20d have been also measured and their interactions with aromatic aldehydes to form isochromene 15 and quinolone 20d have been studied.
Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Environment and Waste Management (IJEWM):
Login with your Inderscience username and password:
Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.
If you still need assistance, please email subs@inderscience.com
Our Blog 
Follow us on Twitter 
Visit us on Facebook