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The gold(i)···lead(ii) interaction: a relativistic connection.


ABSTRACT: 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%).

SUBMITTER: Echeverria R 

PROVIDER: S-EPMC5654245 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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The gold(i)···lead(ii) interaction: a relativistic connection.

Echeverría Raquel R   López-de-Luzuriaga José M JM   Monge Miguel M   Olmos M Elena ME  

Chemical science 20141222 3


The crystal structure of complex [Pb{HB(pz)<sub>3</sub>}Au(C<sub>6</sub>Cl<sub>5</sub>)<sub>2</sub>] <b>1</b> 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. <i>Ab initio</i> calculations show a very strong Au(i)···Pb(ii) closed-shell interaction of -390 kJ mol<sup>-1</sup>, which has an ionic plus a dispersive (van der Waa  ...[more]

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