Cristina Cebrián
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View article: Near‐Infrared Luminescent Ru(II) and Os(II) Complexes
Near‐Infrared Luminescent Ru(II) and Os(II) Complexes Open
Two Ru(II) and Os(II) homoleptic complexes based on a phenanthroline‐pyridylidene tridentate ligand have been designed to reach NIR emission by combining strong σ‐donation, provided by the unconventional N ‐heterocyclic carbene (NHC) pyrid…
View article: A Phenomenological Perturbation-like Approach for Prediction of Molecular Properties in Large Libraries of Polysubstituted Derivatives: Application to Molecular Solar Thermal Systems
A Phenomenological Perturbation-like Approach for Prediction of Molecular Properties in Large Libraries of Polysubstituted Derivatives: Application to Molecular Solar Thermal Systems Open
The prediction of a specific chemical property across a vast library of derivatives represents a formidable challenge. Conventional computational methodologies typically rely on brute-force calculations involving the computation of the pro…
View article: Fe( <scp>ii</scp> ) bidentate complexes with long-lived triplet states
Fe( <span>ii</span> ) bidentate complexes with long-lived triplet states Open
The excitation of bidentate quinoline/quinoxaline-NHC iron( ii ) complexes at 530 nm produced 3 MC/ 3 MLCT mixed excited states with lifetimes up to 74 ps.
View article: Symmetry‐Broken Charge‐Transfer Excited State in Homoleptic Zinc(II) Imidazo[1,2‐<i>a</i>]pyridine Complexes
Symmetry‐Broken Charge‐Transfer Excited State in Homoleptic Zinc(II) Imidazo[1,2‐<i>a</i>]pyridine Complexes Open
A series of four homoleptic cationic Zn II complexes ( Zn1 – Zn4 ) coordinated by two substituted bis ‐imidazo[1,2‐ a ]pyridine (ImPy) ligands ( L1 – L4 ) is herein presented. The ligands are functionalized with either electron acceptor or…
View article: CCDC 2239324: Experimental Crystal Structure Determination
CCDC 2239324: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: True- to Sky-Blue Emitters Bearing the Thiazolo[5,4-<i>d</i>]thiazole Electron Acceptor for Single and Tandem Organic Light-Emitting Diodes
True- to Sky-Blue Emitters Bearing the Thiazolo[5,4-<i>d</i>]thiazole Electron Acceptor for Single and Tandem Organic Light-Emitting Diodes Open
A series of emitters displaying efficient photoluminescence (PL) and electroluminescence (EL) into the true- to sky-blue regions is herein described and employed as electroluminescent materials for the fabrication of efficient blue organic…
View article: CCDC 2126500: Experimental Crystal Structure Determination
CCDC 2126500: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2126506: Experimental Crystal Structure Determination
CCDC 2126506: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2126499: Experimental Crystal Structure Determination
CCDC 2126499: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Substituent-Induced Control of <i>fac</i>/<i>mer</i> Isomerism in Azine-NHC Fe(II) Complexes
Substituent-Induced Control of <i>fac</i>/<i>mer</i> Isomerism in Azine-NHC Fe(II) Complexes Open
The stereoselective synthesis of geometrical iron(II) complexes bearing azine-NHC ligands is described. Facial and meridional selectivity is achieved as a function of the steric demand of the azine unit, with no remarkable influence of the…
View article: Bidentate Pyridyl‐NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism
Bidentate Pyridyl‐NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism Open
Iron complexes are promising candidates for the development of sustainable molecular photoactive materials as an alternative to those based on precious metals such as Ir, Pt or Ru. These compounds possess metal‐ligand charge transfer (MLCT…
View article: CCDC 1983105: Experimental Crystal Structure Determination
CCDC 1983105: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Ir<sup>III</sup>−Pyridoannelated N‐Heterocyclic Carbene Complexes: Potent Theranostic Agents via Mitochondria Targeting
Ir<sup>III</sup>−Pyridoannelated N‐Heterocyclic Carbene Complexes: Potent Theranostic Agents via Mitochondria Targeting Open
A novel family of Ir III complexes bearing a pyridoannelated N‐heterocyclic carbene is herein described. The target compounds 1 – 5 are straightforwardly prepared and fully characterized. Comprehensive investigation of their optical proper…
View article: Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands
Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands Open
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View article: Red-emitting neutral rhenium(<scp>i</scp>) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene
Red-emitting neutral rhenium(<span>i</span>) complexes bearing a pyridyl pyridoannelated N-heterocyclic carbene Open
Two novel neutral rhenium(i) tricarbonyl complexes bearing a pyridoannelated N-heterocyclic carbene are synthetized and fully characterized, which display red photoluminescence arising from a triplet excited state with ligand centered char…
View article: Impact of the <i>fac</i>/<i>mer</i> Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes
Impact of the <i>fac</i>/<i>mer</i> Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes Open
The control of photophysical properties of iron complexes and especially of their excited states decay is a great challenge in the search for sustainable alternatives to noble metals in photochemical applications. Herein we report the synt…
View article: Iron(<scp>ii</scp>) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties
Iron(<span>ii</span>) complexes with diazinyl-NHC ligands: impact of π-deficiency of the azine core on photophysical properties Open
Boosting iron(ii) complex excited-state lifetime by combining pyrazine and benzimidazolylidene NHC ligands.
View article: Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of <i>fac</i>/<i>mer</i> Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces
Synthesis and Computational Study of a Pyridylcarbene Fe(II) Complex: Unexpected Effects of <i>fac</i>/<i>mer</i> Isomerism in Metal-to-Ligand Triplet Potential Energy Surfaces Open
The synthesis and the steady-state absorption spectrum of a new pyridine-imidazolylidene Fe(II) complex (Fe-NHC) are presented. A detailed mechanism of the triplet metal-to-ligand charge-transfer states decay is provided on the basis of mi…
View article: NHC-Based Iron Sensitizers for DSSCs
NHC-Based Iron Sensitizers for DSSCs Open
Nanostructured dye-sensitized solar cells (DSSCs) are promising photovoltaic devices because of their low cost and transparency. Ruthenium polypyridine complexes have long been considered as lead sensitizers for DSSCs, allowing them to rea…
View article: Recent advances in phosphorescent platinum complexes for organic light-emitting diodes
Recent advances in phosphorescent platinum complexes for organic light-emitting diodes Open
Phosphorescent organometallic compounds based on heavy transition metal complexes (TMCs) are an appealing research topic of enormous current interest. Amongst all different fields in which they found valuable application, development of em…
View article: Frontispiece: Metal‐Containing Polymers as Light‐Emitting and Light‐Responsive Materials and Beyond
Frontispiece: Metal‐Containing Polymers as Light‐Emitting and Light‐Responsive Materials and Beyond Open
The rational combination of suitable metal ions and organic multi-topic ligands allows the engineering of multi-functional metal-containing polymers with great structural diversity. The Concept article by M. Mauro, S. Bellemin-Laponnaz, an…
View article: Controlling charge-transfer properties through a microwave-assisted mono- or bis-annulation of dialkynyl-N-(het)arylpyrroles
Controlling charge-transfer properties through a microwave-assisted mono- or bis-annulation of dialkynyl-N-(het)arylpyrroles Open
Charge-transfer properties dependence on mono or bisannulation of dialkynyl-N-(het)arylpyrroles is reported.
View article: CCDC 879817: Experimental Crystal Structure Determination
CCDC 879817: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …