Publication Type Journal Article
Title Synthesis, characterization and DFT studies of novel \& ndash;CH2 \& ndash; capped and non-capped salan complexes
Authors Satabdi Roy Sudhir Lima Nádia Ribeiro Isabel Correia Fernando Avecilla Maxim L. Kuznetsov J.C. Pessoa Werner Kaminsky Rupam Dinda
Groups BIOIN CCC
Journal INORGANICA CHIMICA ACTA
Year 2021
Month May
Volume 519
Number
Pages
Abstract The tetradentate diaminobis(phenolato) ?salan? ligand precursors, N,N?-bis-(2-hydroxy-3-iPr-5-Cl-6-Me-benzyl)4-methylimidazolidine (H2L1) is synthesized. Reaction of H2L1 with MoO2(acac)2, FeCl3, VOSO4 and Ni(OAc)2, resulted in the formation of [MoO2(L1A)] (1), [(Fe(L1A))2(?-Cl)(?-OCH3)], (2), [(VO(L1A))2(?-O)]?THF (3) and [Ni (L1A)] (4), wherein (L1A)2- resulted from the loss of the capping ?CH2- moiety of H2L1 upon complex formation. However the capping ?CH2- moiety between the two N-amine atoms is retained in the reaction of H2L1 with Ti (OiPr)4, resulting in formation of the dinuclear complex [(Ti(L1)(OiPr))2(?-O)] (5). All compounds obtained are characterized by various physicochemical techniques (elemental analysis, IR, UV?Vis and NMR spectroscopy, and ESI-MS), and by single crystal X-ray diffraction analysis in the case of complexes 1?3. The several factors relevant for the formation of the compounds, as well as cleavage or non-cleavage of the ?CH2- bridge in the salan ligands, are elucidated with the help of DFT calculations.
DOI http://dx.doi.org/10.1016/j.ica.2021.120265
ISBN
Publisher
Book Title
ISSN 0020-1693
EISSN 1873-3255
Conference Name
Bibtex ID ISI:000641450000008
Observations
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