@article {1378,
	title = {Comparison of the Structure and Stability of New alpha-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental},
	journal = {Inorganic Chemistry},
	volume = {49},
	number = {19},
	year = {2010},
	note = {<p>653JDTimes Cited:3Cited References Count:58</p>
},
	month = {Oct 4},
	pages = {8699-8708},
	abstract = {<p>New compounds of the general formulas [M(Ar-BIAN)(2)]BF(4) and [M(Ar-BIAN)(NCMe)(2)]BF(4), where M=Cu(1) or Ag(1) and Ar-BIAN = bis(aryl)acenaphthenequinonediimine, were synthesized by the direct reaction of [Cu(NCMe)(4)]BF(4) or [Ag(NCMe)(4)]BF(4) with the corresponding Ar-BIAN ligand in dried CH(2)Cl(2). The synthesized compounds are [M(o, d, p-Me(3)C(6)H(2)-BIAN)(2)]BF(4) where M = Cu(1) (1) and Ag(1) (2), [M(o,d-iPr(2)C(6)H(3)-BIAN)(NCMe)(2)]BF(4) where M = Cu(1) (3) and Ag(1) (4), and [Ag(o,d-iPr(2)C(6)H(3)-BIAN)(2)]BF(4) (5). The crystal structures of compounds 1-3 and 5 were solved by singlecrystal X-ray diffraction. In all cases copper(I) or silver(I) are in a distorted tetrahedron that is constructed from the four nitrogen atoms of the two a-diimine ligands or, in 3, from one a-diimine ligand and two acetonitrile molecules. All compounds were characterized by elemental analyses, matrix-assisted laser desorption ionization time-of-flight mass spectrometry, and IR, UV-vis, and (1)H NMR spectroscopy. The analysis of the molecular geometry and the energetic changes for the formation reactions of the complexes, in a CH(2)Cl(2) solution, were evaluated by density functional theory calculations and compared with the experimental results.</p>
},
	keywords = {catalysts, click chemistry, coordination, metal-complexes, molecular-structures, palladium, reactivity, rigid nitrogen ligand, solid-state structures, terminal alkynes},
	isbn = {0020-1669},
	url = {<Go to ISI>://000282084600012},
	author = {Rosa, V. and Santos, C. I. M. and Welter, R. and Aullon, G. and Lodeiro, C. and Aviles, T.}
}
