Thermodynamic Stability of Heterodimetallic [LnLn′] Complexes: Synthesis and DFT Studies

<div class="page" title="Page 1"> <div class="layoutArea"> <div class="column"> <p> <span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">The solid-state and solution configurations of the heterodimetalli...

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Bibliographic Details
Authors: González-Fabra, Joan, Bandeira, Nuno, Velasco, Verónica, Barrios,Leoní A., Aguilà,David, Teat, Simon J., Roubeau, Olivier, Bo, Carles, Aromí, Gullem
Format: article
Publication Date:2017
Country:España
Institution:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repository:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2072/305897
Online Access:http://hdl.handle.net/2072/305897
https://doi.org/10.1002/chem.201700095
Access Level:Open access
Keyword:coordination chemistry
density functional calculations
functional molecules
lanthanides
supramolecular chemistry
Description
Summary:<div class="page" title="Page 1"> <div class="layoutArea"> <div class="column"> <p> <span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">The solid-state and solution configurations of the heterodimetallic complexes (Hpy)[LaEr(HL)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">(NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">)(py)(H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">O)] (</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR6'">1</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">), (Hpy)[CeEr(HL)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">(NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">)(py)(H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">O)] (</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR6'">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">), (Hpy)[CeGd(HL)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">(NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">)- (py)(H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">O)] (</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR6'">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">), (Hpy)[PrSm(HL)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">(NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">)(py)(H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">O)] (</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR6'">4</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">), and (Hpy)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">[LaYb(HL)</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">(NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">)(H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">2</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">O)](NO</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">) (</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR6'">5</span><span style="font-size: 9.000000pt; font-family: 'AdvMYR4'">), in which H</span><span style="font-size: 6.000000pt; font-family: 'AdvMYR4'; vertical-align: -2.000000pt">3</span><span style="font-siz

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