A theoretical chemistry-based strategy for the rational design of new luminescent lanthanide complexes: an approach from a multireference SOC-NEVPT2 method-Reference-Cited by-同舟云学术

A theoretical chemistry-based strategy for the rational design of new luminescent lanthanide complexes: an approach from a multireference SOC-NEVPT2 method

Published:2021 Issue:38 Volume:50 Page:13561-13571
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Cantero-López Plinio¹^ORCID,Santoyo-Flores Julián²,Vega Andrés³^ORCID,Carreño Alexander¹^ORCID,Fuentes Juan A.⁴^ORCID,Ramirez-Osorio Angélica¹,Ortiz Alejandro⁵⁶^ORCID,Illicachi Luis Alberto⁵⁶,Sánchez Julio⁷,Olea Andrés F.⁸,Páez-Hernández Dayán¹²^ORCID

Affiliation:

1. Center of Applied Nanoscience (CANS), Facultad de Ciencias Exactas, Universidad Andres Bello, Av. República 330, Santiago, Chile

2. Doctorado en Fisicoquímica Molecular, Universidad Andres Bello, Facultad de Ciencias Exactas, República 275, Santiago, Chile

3. Departamento de Ciencias Química, Universidad Andrés Bello, Facultad de Ciencias Exactas, Quillota 980, Viña del Mar, Chile

4. Laboratorio de Genética y Patógénesis Bacteriana, Facultad de Ciencias de la Vida, Universidad Andres Bello, República 330, Santiago, Chile

5. Heterocyclic Compounds Research Group, Department of Chemistry, Universidad del Valle, A.A. 25360, Cali, Colombia

6. Center for Research and Innovation in Bioinformatics and Photonics-CIBioFi, Calle 13 No. 100-00, Edificio 320, No. 1069, Cali, Colombia

7. Universidad de Santiago de Chile (USACH), Facultad de Química y Biología, Departamento de Ciencias del Ambiente, Santiago, Chile

8. Instituto de Ciencias Químicas Aplicadas, Universidad Autónoma de Chile, Santiago, Chile

Abstract

Theoretical methods of the SOC-NEVPT2 type combined with a molecular fragmentation scheme have been proven to be a powerful tool that allows explaining the luminescence mechanism in Ln(iii) compounds of the form Eu(R-phen)(BTA)3.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D1DT02037D

Reference34 articles.

1. Hydrothermal synthesis of six new lanthanides coordination polymers based on 1-H-benzimidazole-5-carboxylic acid: Structure, Hirshfeld analysis, thermal and spectroscopic properties

2. Luminescence Tunable Europium and Samarium Complexes: Reversible On/Off Switching and White-Light Emission

3. Electroluminescent properties of lanthanide pentafluorophenolates