A series of well-defined phosphine-ligated diarylgold(III) complexes cis-[Au(L)(Ar_F)(Ar′)(Cl)] were prepared, and detailed kinetics of the C(sp²)–C(sp²) reductive elimination from these complexes were studied. The mechanism of the reductive elimination from the complexes cis-[Au(L)(Ar_F)(Ar′)(Cl)] was further studied by theoretical calculations. The combination of experimental and theoretical results suggests that the biaryl reductive elimination from organogold(III) complexes cis-[Au(L)(Ar_F)(Ar′)(Cl)] proceeds through a concerted biaryl-forming pathway from the four-coordinated Au(III) metal center. These studies also disclose that the steric hindrance of the phosphine ligands plays a major role in promoting the biaryl-forming reductive elimination from diarylgold(III) complexes cis-[Au(L)(Ar_F)(Ar′)(Cl)], while electronic properties of these ligands have a much smaller effect. Futhermore, it was found that the complexes with more weakly electron withdrawing aryl ligands undergo reductive elimination more quickly and the elimination rate is not sensitive to the polarity of the solvents.

中文翻译：

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定义明确的二芳基金（III）配合物的C（sp ²）–C（sp ²）还原消除

制备了一系列定义明确的膦连接的二芳基金（III）配合物顺式-[Au（L）（Ar _F）（Ar'）（Cl）]，并详细研究了C（sp ²）–C（sp ²）研究了从这些配合物中的还原消除。通过理论计算进一步研究了从配合物顺式[[Au（L）（Ar _F）（Ar'）（Cl）]还原还原的机理。实验和理论结果的结合表明，有机金（III）配合物顺式-[Au（L）（Ar _F）的联芳基还原消除）（Ar'）（Cl）]从四配位的Au（III）金属中心通过一致的联芳基形成途径进行。这些研究还揭示了膦配体的位阻在促进从二芳基金（III）配合物顺式[[Au（L）（Ar _F）（Ar'）（Cl）]形成联芳形成的还原消除中起主要作用，而这些配体的电子性质的影响要小得多。此外，发现具有更弱吸电子芳基配体的配合物经历更快的还原消除，并且消除速率对溶剂的极性不敏感。