<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Rosa, V.</style></author><author><style face="normal" font="default" size="100%">Santos, C. I. M.</style></author><author><style face="normal" font="default" size="100%">Welter, R.</style></author><author><style face="normal" font="default" size="100%">Aullon, G.</style></author><author><style face="normal" font="default" size="100%">Lodeiro, C.</style></author><author><style face="normal" font="default" size="100%">Aviles, T.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Comparison of the Structure and Stability of New alpha-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental</style></title><secondary-title><style face="normal" font="default" size="100%">Inorganic Chemistry</style></secondary-title><alt-title><style face="normal" font="default" size="100%">Inorg Chem</style></alt-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">catalysts</style></keyword><keyword><style  face="normal" font="default" size="100%">click chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">coordination</style></keyword><keyword><style  face="normal" font="default" size="100%">metal-complexes</style></keyword><keyword><style  face="normal" font="default" size="100%">molecular-structures</style></keyword><keyword><style  face="normal" font="default" size="100%">palladium</style></keyword><keyword><style  face="normal" font="default" size="100%">reactivity</style></keyword><keyword><style  face="normal" font="default" size="100%">rigid nitrogen ligand</style></keyword><keyword><style  face="normal" font="default" size="100%">solid-state structures</style></keyword><keyword><style  face="normal" font="default" size="100%">terminal alkynes</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">Oct 4</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">&lt;Go to ISI&gt;://000282084600012</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">19</style></number><volume><style face="normal" font="default" size="100%">49</style></volume><pages><style face="normal" font="default" size="100%">8699-8708</style></pages><isbn><style face="normal" font="default" size="100%">0020-1669</style></isbn><language><style face="normal" font="default" size="100%">English</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;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.&lt;/p&gt;
</style></abstract><accession-num><style face="normal" font="default" size="100%">ISI:000282084600012</style></accession-num><notes><style face="normal" font="default" size="100%">&lt;p&gt;653JDTimes Cited:3Cited References Count:58&lt;/p&gt;
</style></notes><auth-address><style face="normal" font="default" size="100%">Aullon, GUniv Barcelona, Dept Quim Inorgan, Av Diagonal 647, E-08028 Barcelona, SpainUniv Barcelona, Dept Quim Inorgan, Av Diagonal 647, E-08028 Barcelona, SpainUniv Barcelona, Dept Quim Inorgan, E-08028 Barcelona, SpainUniv Barcelona, Inst Quim Teor &amp; Computac IQTCUB, E-08028 Barcelona, SpainUniv Nova Lisboa, REQUIMTE, Dept Quim, Fac Ciencias &amp; Tecnol, P-2829516 Caparica, PortugalUniv Strasbourg, Lab DECOMET, Inst Chim, CNRS UMR 7177, F-67070 Strasbourg, FranceUniv Vigo, Grp BIOSCOPE, Area Quim Fis, Fac Ciencias, Orense 32004, Spain</style></auth-address></record></records></xml>