期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2018
卷号：9
期号：10
页码：2919-2925
出版社：University of Mohammed Premier Oujda
摘要：New comparative experimental and theoretical studies of two isomeric series oftripods based on pyrazole rings were investigated. Tripods were characterizedby the presence of two types of connecting junctions N-C-N (1, 3) and N-C-C(2, 4). Melting points, IR, NMR and MS spectra of ligands 1-4 were examined.All geometrical parameters were computed using density functional theorymethod (B3LYP) with 6-311 G (2d,p) as basis set. The nature of junctionsbetween the aniline N-atom and the pyrazole rings influence considerably themelting points, chemical shifts, fragmentation pattern, bond angles andorientations between pyrazolic rings. However, the junction modes producesmall variations on the bond lengths in side arms.
