Cationic allyl nickel complexes containing N,O-donor labile ligands: Synthesis and molecular characterisation

被引：4

作者：

Belkhiria, Marwa ^{[1
]}

Mechria, Ali ^{[1
]}

Cruz, Tiago F. C. ^{[2
]}

Gomes, Clara S. B. ^{[2
]}

Msaddek, Moncef ^{[1
]}

Gomes, Pedro T. ^{[2
]}

机构：

[1] Fac Sci Monastir, LCHPNR, Bd Environm, Monastir 5000, Tunisia

[2] Univ Lisbon, Ctr Quim Estrutural, Inst Super Tecn, Dept Engn Quim, Av Rovisco Pais, P-1049001 Lisbon, Portugal

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2019年 / 1182卷

关键词：

eta(3)-allyl complexes; Cationic nickel(II) complexes; N; O-chelates; Hemilabile ligands; DFT calculations; EFFECTIVE CORE POTENTIALS; GAUSSIAN-BASIS SETS; METAL-COMPLEXES; SCHIFF-BASE; PALLADIUM(II) COMPLEXES; OCTAHEDRAL NICKEL(II); BIOLOGICAL-ACTIVITY; THIOSEMICARBAZONES; 2-FURALDEHYDE; ETHYLENE;

D O I：

10.1016/j.molstruc.2019.01.045

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Three 2-iminofuran ligands 2-(N-2,6-diisopropylphenylformimino)furan (L1), 2-(N-2,6-dimethylphenylformimino)furan (L2) and 2-(N-4-methoxyphenylformimino)furan (L3) were obtained by condensation reactions of the respective anilines with furfural. The eta(3)-allyl Ni(II) cationic complexes 1-3 have been synthesised by reacting [Ni(eta(3)-C3H5)(mu-Br)](2) with the corresponding ligands L1-L3, in the presence of TIPF6. All complexes have been characterised by FT-IR, NMR spectroscopy and elemental analysis. The molecular structure of complex 2 has been determined by single crystal X-Ray diffraction. Complexes 1 and 2 have displayed a mono bidentate chelation mode of the respective ligand, while complex 3 showed a bis monodentate coordination framework. The respective complexes were studied by DFT calculations, showing a tendency to form the bis monodentate species, the formation of complex 3 being clearly the most favoured one. (C) 2019 Elsevier B.V. All rights reserved.

引用

页码：260 / 265

页数：6

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