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

Author

González-Fabra, Joan

Bandeira, Nuno

Velasco, Verónica

Barrios,Leoní A.

Aguilà,David

Teat, Simon J.

Roubeau, Olivier

Bo, Carles

Aromí, Gullem

Publication date

2017



Abstract

<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

Document Type

Article

Language

English

Subject

coordination chemistry; density functional calculations; functional molecules; lanthanides; supramolecular chemistry

Publisher

Wiley

Version of

Chem. Eur. J.

Grant Agreement Number

CTQ2014-52824-R

SEV-2013-0319

Related items

MINECO

I+D+I Severo Ochoa Excellence Accreditation 2014–2018

Documents

Ln-Paper_14-02-17-ICIQREP.pdf

3.466Mb

 

This item appears in the following Collection(s)

Papers [1244]