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Title: Element-Selective Molecular Charge Transport Characteristics of Binuclear Copper(II)-Lanthanide(III) Complexes
Author: Schmitz, Sebastian
Kovalchuk, Andrew
Martín Rodríguez, Alejandro
van Leusen, Jan
Izarova, Natalya V.
Bourone, Svenja D. M.
Ai, Yong
Ruiz Sabín, Eliseo
Chiechi, Ryan C.
Kögerler, Paul
Monakhov, Kirill Yu.
Keywords: Ions
Compostos complexos
Complex compounds
Issue Date: 24-Jul-2018
Publisher: American Chemical Society
Abstract: A series of isostructural dinuclear 3d-4f complexes, isolated as [CuLn(L·SMe)2(OOCMe)2(NO3)]·xMeOH (Ln = Gd 1, Tb 2, Dy 3, and Y 4; x = 0.75-1) and comprising one acetate and two thioether-Schiff base (L·SMe-) bridging ligands based on 4-(methylthio)aniline and 2-hydroxy-3-methoxybenzaldehyde (HL·SMe = C15H15NO2S), was synthesized and fully characterized. The magnetic properties of the charge-neutral {CuLn} complexes are dominated by ferromagnetic CuII-LnIII exchange interactions. Large-area electron transport studies reveal that the average conductivity of robust, self-assembled {CuLn} monolayers on a gold substrate is significantly lower than that of common alkanethiolates. Theoretical calculations of transmission spectra of individual complexes 1 and 4 embedded between two metallic electrodes show that the molecular current-voltage (I-V) characteristics are strongly influenced by electron transport through the Cu centers and thus fully independent of the lanthanide ion, in excellent agreement with the experimental I-V data for 1-4. The β-polarized transmission indicated by calculations of 1 and 4 points out their potential as spin filters. In addition, the reactivity of the title compound 1 with CuII in a square-pyramidal coordination environment toward methanolate and azide was examined, resulting in the formation of a linear trinuclear complex, [Cu2Na(L·SMe)4]NO3·3MeOH (5), characterized by antiferromagnetic exchange interactions between the two copper ions.
Note: Versió postprint del document publicat a:
It is part of: Inorganic Chemistry, 2018, vol. 57, num. 15, p. 9274-9285
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ISSN: 0020-1669
Appears in Collections:Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))
Articles publicats en revistes (Química Inorgànica i Orgànica)

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