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Title Synthesis and characterization of two novel fused macrocyclic ligands: Experimental and theoretical studies
Type JournalPaper
Keywords Macrocycle Crystal structure Schiff-base X-ray Theoretical studies
Abstract Two new 24- and 26-membered macrocycles (L1 and L2) have been prepared from condensation of N 1-[2-(2-aminophenoxy) ethyl]-benzene-1,2-diamine (1), N 1-(3-(2-aminophenoxy) propyl) benzene-1,2-diamine (2) and 2,6- diformyl-4-methylphenol in methanol. The ligands were characterized with various spectroscopic methods such as FT-IR, 1H and 13C NMR and ESI-Mass and elemental analysis. The structure of the L2 has been determined by single-crystal X-ray diffraction analysis. DFT studies at B3LYP/6-31+G(d,p)/GD3 computational level have been carried out and compared to the X-ray results.
Researchers maxime ferrer (Not In First Six Researchers), ibon alkorta (Fifth Researcher), ROBERT W. GABLE (Not In First Six Researchers), (Fourth Researcher), sareh tamizi (Third Researcher), Hassan Keypour (Second Researcher), Majid Rezaeivala (First Researcher)