The gold(i)···lead(ii) interaction: a relativistic connection.
نویسندگان
چکیده
The crystal structure of complex [Pb{HB(pz)3}Au(C6Cl5)2] 1 displays an unsupported Au(i)···Pb(ii) interaction. This complex emits at 480 nm in the solid state due to an aurate(i) to lead(ii) charge transfer, in which the existence of a metallophilic interaction is a pre-requisite. Ab initio calculations show a very strong Au(i)···Pb(ii) closed-shell interaction of -390 kJ mol-1, which has an ionic plus a dispersive (van der Waals) nature strengthened by large relativistic effects (>17%).
منابع مشابه
The gold(i)···lead(ii) interaction: a relativistic connection† †Electronic supplementary information (ESI) available: X-ray crystallographic data in CIF format and plots of the polymeric crystal structure of 1, experimental and theoretical details. CCDC 1033939. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03680h Click here for additional data file. Click here for additional data file.
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عنوان ژورنال:
- Chemical science
دوره 6 3 شماره
صفحات -
تاریخ انتشار 2015