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Dispersive Forces and Dipole Moment Increase as Driving Forces for the Formation of an Unprecedented Metallophilic Heterotrimetallic System
Author(s) -
Donamaría Rocío,
Lippolis Vito,
LópezdeLuzuriaga José M.,
Monge Miguel,
Nieddu Mattia,
Olmos M. Elena
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201803673
Subject(s) - dipole , supramolecular chemistry , moment (physics) , crystallography , materials science , ab initio , molecular physics , chemical physics , crystal structure , chemistry , physics , classical mechanics , quantum mechanics
The crystal structure of the polymeric complex [Au 5 Ag 2 Tl 3 (C 6 F 5 ) 10 (L 1 ) 2 ] n (L 1 =1‐aza‐4,10‐dithia‐7‐oxacyclododecane) displays heterotrimetallic Ag⋅⋅⋅Au⋅⋅⋅Tl moieties and is held by unsupported metallophilic interactions. This complex emits at 500 nm in the solid state. Ab initio calculations show that the large thermodynamic stability that helps the formation of this heterotrimetallic system arises from the combination of dispersive forces and a very large dipole moment in the supramolecular arrangement.