Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand-Reference-Cited by-同舟云学术

Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand

Published:2022 Issue:17 Volume:24 Page:10222-10240
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Franco Leandro Rezende¹²^ORCID,Toledo Kalil Cristhian Figueiredo³^ORCID,Matias Tiago Araujo³,Benavides Paola Andrea³^ORCID,Cezar Henrique Musseli¹^ORCID,Araujo C. Moyses²⁴^ORCID,Coutinho Kaline¹^ORCID,Araki Koiti³^ORCID

Affiliation:

1. Instituto de Física, Universidade de São Paulo, Cidade Universitária, 05508-090 São Paulo, SP, Brazil

2. Department of Engineering and Physics, Karlstad University, 65188 Karlstad, Sweden

3. Instituto de Química, Universidade de São Paulo, Av. Lineu Prestes 748, Butantã, 05508-000 São Paulo, SP, Brazil

4. Materials Theory Division, Department of Physics and Astronomy, Ångström Laboratory, Uppsala University, 75120 Uppsala, Sweden

Abstract

Understanding the interactions and the solvent effects on the distribution of several species in equilibrium and how it can influence the 1H-NMR properties, spectroscopy (UV-vis absorption), and the acid–base equilibria can be especially challenging.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Vetenskapsrådet

Energimyndigheten

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP03912A

Reference99 articles.

1. Diradicals

2. Recent Progress in Quinoidal Singlet Biradical Molecules

3. B.Wang , E. V.Anslyn and M.Nakano , Excitation energies and properties of open-shell singlet molecules: applications to a new class of molecules for nonlinear optics and singlet fission , Springer , 2014 , vol. 15

4. Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals

5. Indeno[2,1-b]fluorene: A 20-π-Electron Hydrocarbon with Very Low-Energy Light Absorption

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