Instituto de Investigaciones Químicas (IIQ), Departamento de Química Inorgánica, Centro de Innovación en Química Avanzada (ORFEO-CINCA), CSIC, Universidad de Sevilla, Avda. Américo Vespucio 49, 41092, Sevilla, Spain.
Departament de Química-Centro de Innovación en Química Avanzada (ORFEO-CINCA), Universitat Autònoma de Barcelona, Campus UAB, 08193, Cerdanyola del Vallès, Spain.
Angew Chem Int Ed Engl. 2018 Mar 12;57(12):3217-3221. doi: 10.1002/anie.201712791. Epub 2018 Feb 22.
The platinum complex [Pt(I Bu Pr')(I Bu Pr)][BAr ] interacts with tertiary silanes to form stable (<0 °C) mononuclear Pt σ-SiH complexes [Pt(I Bu Pr')(I Bu Pr)(η -HSiR )][BAr ]. These compounds have been fully characterized, including X-ray diffraction methods, as the first examples for platinum. DFT calculations (including electronic topological analysis) support the interpretation of the coordination as an unusual η -SiH. However, the energies required for achieving a η -SiH mode are rather low, and is consistent with the propensity of these derivatives to undergo Si-H cleavage leading to the more stable silyl species [Pt(SiR )(I Bu Pr) ][BAr ] at room temperature.
铂配合物[Pt(I Bu Pr')(I Bu Pr)][BAr ]与叔硅烷相互作用，形成稳定的（<0°C）单核 Pt σ-SiH 配合物[Pt(I Bu Pr')(I Bu Pr)(η -HSiR )][BAr ]。这些化合物已通过包括 X 射线衍射方法在内的各种方法进行了充分的表征，是铂的首例此类化合物。密度泛函理论（DFT）计算（包括电子拓扑分析）支持了将这种配位方式解释为不寻常的 η -SiH 的观点。然而，实现 η -SiH 模式所需的能量相当低，这与这些衍生物易于发生 Si-H 断裂，从而在室温下生成更稳定的硅烷物种[Pt(SiR )(I Bu Pr) ][BAr ]的倾向一致。
