Indexing metadata

Understanding the quantitative role of the binding chain (CH2)n (n=1,2 and 3) on the physicochemical character in the intramolecular reaction: Case of triene-amide


 
Dublin Core PKP Metadata Items Metadata for this Document
 
1. Title Title of document Understanding the quantitative role of the binding chain (CH2)n (n=1,2 and 3) on the physicochemical character in the intramolecular reaction: Case of triene-amide
 
2. Creator Author's name, affiliation, country A. Benallou; Abdelilah BENALLOU1*, Hocine GARMES2, Habib el alaoui EL ABDALLAOUI1; Morocco
 
2. Creator Author's name, affiliation, country H. Garmes
 
2. Creator Author's name, affiliation, country H. El alaoui EL Abdallaoui
 
3. Subject Discipline(s)
 
3. Subject Keyword(s) IMDA; binding chain; intra-molecule; isolated state; B3LYP hybrid.
 
4. Description Abstract

In this study, we will be studied quantitatively the binding chain role and understanding the interactions between diene (D) and dienophile (Dp) fragments in the intra-molecule (IM) and identifying the physicochemical variations of these fragments when passing from the isolated fragment (IF) to the linked fragment (LF) at the intra-molecule using the nucleophilic and electrophilic Fukui functions  calculated by DFT (density functional theory) method with the B3LYP hybrid and 6-31G(d,p) basis set level. The results found show that the binding chain has a low contribution to the physicochemical character of the intra-molecule and that his principal role focuses on the transfer of the charge between fragments, the quantitative studies we permit to conclude that the nucleophilic Fukui functions of Diene are remains unchanged in the linked fragment than that in diene (D) of isolated fragment (FDIF) as (and the electrophilic Fukui function of dienophile is divided almost in half in the linked fragment than that in dienophile (Dp) in isolated fragment as .
 
5. Publisher Organizing agency, location
 
6. Contributor Sponsor(s)
 
7. Date (YYYY-MM-DD) 27-07-2017
 
8. Type Status & genre Peer-reviewed Article
 
8. Type Type
 
9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/morjchem/article/view/6665
 
10. Identifier Digital Object Identifier (DOI) https://doi.org/10.48317/IMIST.PRSM/morjchem-v5i4.6665
 
11. Source Title; vol., no. (year) Moroccan Journal of Chemistry; Vol 5, No 4 (2017)
 
12. Language English=en en
 
13. Relation Supp. Files
 
14. Coverage Geo-spatial location, chronological period, research sample (gender, age, etc.)
 
15. Rights Copyright and permissions Copyright (c) 2017 Moroccan Journal of Chemistry