@article { ISI:000258709500038,
	title = {{A new bis(1-naphthylimino)acenaphthene compound and its Pd(II) and Zn(II) complexes: Synthesis, characterization, solid-state structures and density functional theory studies on the syn and anti isomers}},
	journal = {{INORGANIC CHEMISTRY}},
	volume = {{47}},
	number = {{17}},
	year = {2008},
	note = {<p>n/a</p>
},
	month = {{SEP 1}},
	pages = {{7734-7744}},
	abstract = {<p>{A new rigid bidentate ligand, bis(1-naphthylimino)acenaphthene, L1, and its Zn(II) and Pd(II) complexes {[}ZnCl(2)(L1)], 1, and {[}PdCl(2)(L1)], 2, were synthesized. L1 was prepared by the {\textquoteleft}{\textquoteleft}template method{{\textquoteright}{\textquoteright}}, reacting 1-naphthyl amine and acenaphthenequinone in the presence of ZnCl(2), giving 1, which was further demetallated. Reaction of 1-naphthyl amine with acenaphthenequinone and PdCl(2) afforded dichloride bis(1-naphthyl)acenaphthenequinonediimine palladium, 2. L1, 1, and 2 were obtained as a mixture of syn and anti isomers. Compound 2 was also obtained by the reaction of PdCl(2) activated by refluxing it in acetonitrile followed by the addition of L1; by this route also a mixture of syn and anti isomers was obtained, but at a different rate. The solid-state structures of L1 and the anti isomer of compound 2 have been determined by single-crystal X-ray diffraction. All compounds have been characterized by elemental analyses; matrix-assisted laser desorption ionization-time-of-flight-mass spectrometry; IR; UV-vis; (1)H, (13)C, and (1)H-(1)H correlation spectroscopy; (1)H-(13)C heteronuclear single quantum coherence; (1)H-(13)C heteronuclear single quantum coherence-total correlation spectroscopy; and (1)H-(1)H nuclear Overhauser effect spectrometry NMR spectroscopies when applied. Density functional theory studies showed that both conformers for {[}PdCl(2)(BIAN)] are isoenergetic, and they can both be obtained experimentally. However, we can predict that the isomerization process is not available in a square-planar complex, but it is possible for the free ligand. The molecular geometry is very similar in both isomers, and only different orientations for naphthyl groups can be expected.}</p>
},
	issn = {{0020-1669}},
	doi = {{10.1021/ic800790u}},
	author = {Vitor Rosa, and Aviles, Teresa and Aullon, Gabriel and Covelo, Berta and Carlos Lodeiro,}
}
