Lista de obras - Monika Srebro - Dominio Público Uruguay

A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system

artículo científico publicado en 2020

Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes

artículo científico publicado en 2014

Aggregation-Induced Emission-Based Sensing Platform for Selective Detection of Zn2+ : Experimental and Theoretical Investigations

scientific article published on 04 June 2019

Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone

article

Anion-π Architectures of HAT(CN) 6 and 5d Polycyanidometalates: [W(CN) 8 ] 3– , [Re(CN) 7 ] 3– , and [Pt(CN) 6 ] 2–

artículo científico publicado en 2018

Anion-π recognition between [M(CN)6]3- complexes and HAT(CN)6: structural matching and electronic charge density modification.

artículo científico publicado en 2017

Applications of the ETS-NOCV method in descriptions of chemical reactions

artículo científico publicado en 2011

Assembly of helicene-capped N,P,N,P,N-helicands within Cu(I) helicates: impacting chiroptical properties by ligand-ligand charge transfer

artículo científico publicado en 2013

Bimetallic Gold(I) Complexes with Ethynyl-Helicene and Bis-Phosphole Ligands: Understanding the Role of Aurophilic Interactions in their Chiroptical Properties

artículo científico publicado en 2016

Binding of anionic Pt(II) complexes in a dedicated organic matrix: towards new binary crystalline composites

scientific article published on 08 December 2020

Binding of polar monomers in the complexes with organometallic ethylene polymerization catalysts — Natural orbitals for chemical valence and energy decomposition analysis

Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity

artículo científico publicado en 2019

Calculating Natural Optical Activity of Molecules from First Principles

artículo científico publicado en 2017

Chiroptical properties of carbo[6]helicene derivatives bearing extended π-conjugated cyano substituents

artículo científico publicado en 2013

Computational Analysis of47/49Ti NMR Shifts and Electric Field Gradient Tensors of Half-Titanocene Complexes: Structure-Bonding-Property Relationships

scientific article published on 26 July 2013

Computational Modeling of Polymerization Catalysts

Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study

artículo científico publicado en 2009

Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn(2+) binding

artículo científico publicado en 2016

Correction to "Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity"

artículo científico publicado en 2019

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(OiPr)2in Homoleptic Complexes with NiII

Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties

artículo científico publicado en 2014

Diastereo- and Enantioselective Synthesis of Organometallic Bis(helicene)s by a Combination of CH Activation and Dynamic Isomerization

artículo científico publicado en 2013

Dinuclear Rhenium Complexes with a Bridging Helicene-bis-bipyridine Ligand: Synthesis, Structure, and Photophysical and Chiroptical Properties

artículo científico publicado en 2020

Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient

artículo científico publicado en 2012

Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands

artículo científico publicado en 2016

Enantiopure Cycloiridiated Complexes Bearing a Pentahelicenic N-Heterocyclic Carbene and Displaying Long-Lived Circularly Polarized Phosphorescence

artículo científico publicado en 2017

Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.

artículo científico publicado en 2017

Exciton coupling in diketopyrrolopyrrole-helicene derivatives leads to red and near-infrared circularly polarized luminescence.

artículo científico publicado en 2017

Exploring a reaction mechanism for acetato ligand replacement in paddlewheel tetrakisacetatodirhodium (II,II) complex by ammonia: computational density functional theory study

artículo científico publicado en 2011

Exploring the conformational space of cobalt(III)-salen catalyst for CO2 /epoxide copolymerization: Effect of quaternary ammonium salts on preference of alternative isomers

artículo científico publicado en 2018

Giant Faraday Rotation in Mesogenic Organic Molecules

article

Half-Metallocene Titanium(IV) Phenyl Phenoxide for High Temperature Olefin Polymerization: Ortho-Substituent Effect at Ancillaryo-Phenoxy Ligand for Enhanced Catalytic Performance

scholarly article by Tae-Jin Kim et al published 22 September 2009 in Macromolecules

Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching

artículo científico publicado en 2013

Helicenes Grafted with 1,1,4,4-Tetracyanobutadiene Moieties: π-Helical Push-Pull Systems with Strong Electronic Circular Dichroism and Two-Photon Absorption

artículo científico publicado en 2018

Influence of CH2Cl2for the structure stabilization of the NiIIcomplex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2

Influence of carbon chain length on physical properties of 3FmHPhF homologues

artículo científico publicado en 2019

Influence of fluorosubstitution on physical properties of the smectogenic chiral ester

artículo científico publicado en 2022

Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S′-coordination in NiII complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2

artículo científico publicado en 2011

Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments

artículo científico publicado en 2007

Iron Alkynyl Helicenes: Redox-Triggered Chiroptical Tuning in the IR and Near-IR Spectral Regions and Suitable for Telecommunications Applications

artículo científico publicado en 2016

Large-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity.

artículo científico publicado en 2016

Long-Lived Circularly Polarized Phosphorescence in Helicene-NHC Rhenium(I) Complexes: The Influence of Helicene, Halogen, and Stereochemistry on Emission Properties

artículo científico publicado en 2020

Modulation of Chiroptical Properties in a Series of Helicene-like Compounds

artículo científico publicado en 2019

Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems

artículo científico publicado en 2019

Molecular Deformation, Charge Flow, and Spongelike Behavior in Anion-π {[M(CN)4 ]2- ;[HAT(CN)6 ]}∞ (M=Ni, Pd, Pt) Supramolecular Stacks

artículo científico publicado en 2018

On Conformational Flexibility of Half-Titanocene Catalysts with Aryloxy Ligands for High-Temperature Olefin Polymerization Processes: Static and Dynamic Theoretical Studies†

On preference of insertion mechanism in the ethylene polymerization catalyzed by half-titanocene complexes with aryloxy ligands: Static and dynamic theoretical studies

On the Border between Low-Nuclearity and One-Dimensional Solids: A Unique Interplay of 1,2,4-Triazolyl-Based {CuII5(OH)2} Clusters and MoVI-Oxide Matrix

scientific article published on 09 May 2018

On the nature of Ni⋯Ni interaction in a model dimeric Ni complex

article

Optical rotation calculated with time-dependent density functional theory: the OR45 benchmark

artículo científico publicado en 2011

Palladium Acetate Revisited: Unusual Ring-Current Effects, One-Electron Reduction, and Metal-Metal Bonding

artículo científico publicado en 2018

Phosphahelicenes: From Chiroptical and Photophysical Properties to OLED Applications

artículo científico publicado en 2019

Photophysical properties of 1-pyridine-3-phenylpyrazoloquinoline and molecular logic gate implementation

artículo científico publicado en 2019

QTAIM and ETS-NOCV analyses of intramolecular CH···HC interactions in metal complexes

artículo científico publicado en 2011

Redox-Active Chiroptical Switching in Mono- and Bis-Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity

Redox-triggered chiroptical switching activity of ruthenium(III)-bis-(β-diketonato) complexes bearing a bipyridine-helicene ligand.

artículo científico publicado en 2018

Role of Ancillary Ligands in a Description of Copper(I)−Bis(trimethylsilyl)acetylene bonding. A Theoretical Study

scholarly article by Monika Srebro & Mariusz Mitoraj published 13 July 2009 in Organometallics

Ruthenium-Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching

artículo científico publicado en 2015

Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core

scientific article published on 25 June 2012

Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]

Spin ground state and magnetic properties of cobalt(II): relativistic DFT calculations guided by EPR measurements of bis(2,4-acetylacetonate)cobalt(II)-based complexes

artículo científico publicado en 2011

Sterically less-hindered half-titanocene(IV) phenoxides: ancillary-ligand effect on mono-, bis-, and tris(2-alkyl-/arylphenoxy) titanium(IV) chloride complexes

artículo científico publicado en 2010

Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods

artículo científico publicado en 2014

Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations

artículo científico publicado en 2019

Synthesis and Chiroptical Properties of Hexa-, Octa-, and Deca-azaborahelicenes: Influence of Helicene Size and of the Number of Boron Atoms

artículo científico publicado en 2016

Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III).

artículo científico publicado en 2017

Theoretical Study on Epoxide Ring-opening in CO2/Epoxide Copolymerization Catalyzed by Bifunctional Salen-Type Cobalt(III) Complexes: Influence of Stereoelectronic Factors

artículo científico publicado en 2021

Theoretical analysis of bonding in N-heterocyclic carbene-rhodium complexes.

artículo científico publicado en 2009

Triskelion-shaped iridium-helicene NHC complex

artículo científico publicado en 2021

Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation

artículo científico publicado en 2011

Unravelling the structure of Magnus' pink salt

artículo científico publicado en 2014

Valence-shell photoelectron circular dichroism of ruthenium( iii )-tris-(acetylacetonato) gas-phase enantiomers

artículo científico publicado en 2021

enantio-Enriched CPL-active helicene-bipyridine-rhenium complexes

artículo científico publicado en 2015

Lista de obras de Monika Srebro

A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system

Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes

Aggregation-Induced Emission-Based Sensing Platform for Selective Detection of Zn2+ : Experimental and Theoretical Investigations

Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone

Anion-π Architectures of HAT(CN) 6 and 5d Polycyanidometalates: [W(CN) 8 ] 3– , [Re(CN) 7 ] 3– , and [Pt(CN) 6 ] 2–

Anion-π recognition between [M(CN)6]3- complexes and HAT(CN)6: structural matching and electronic charge density modification.

Applications of the ETS-NOCV method in descriptions of chemical reactions

Assembly of helicene-capped N,P,N,P,N-helicands within Cu(I) helicates: impacting chiroptical properties by ligand-ligand charge transfer

Bimetallic Gold(I) Complexes with Ethynyl-Helicene and Bis-Phosphole Ligands: Understanding the Role of Aurophilic Interactions in their Chiroptical Properties

Binding of anionic Pt(II) complexes in a dedicated organic matrix: towards new binary crystalline composites

Binding of polar monomers in the complexes with organometallic ethylene polymerization catalysts — Natural orbitals for chemical valence and energy decomposition analysis

Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity

Calculating Natural Optical Activity of Molecules from First Principles

Chiroptical properties of carbo[6]helicene derivatives bearing extended π-conjugated cyano substituents

Computational Analysis of47/49Ti NMR Shifts and Electric Field Gradient Tensors of Half-Titanocene Complexes: Structure-Bonding-Property Relationships

Computational Modeling of Polymerization Catalysts

Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study

Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn(2+) binding

Correction to "Bis-4-aza[6]helicene: A Bis-helicenic 2,2'-Bipyridine with Chemically Triggered Chiroptical Switching Activity"

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(OiPr)2in Homoleptic Complexes with NiII

Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties

Diastereo- and Enantioselective Synthesis of Organometallic Bis(helicene)s by a Combination of CH Activation and Dynamic Isomerization

Dinuclear Rhenium Complexes with a Bridging Helicene-bis-bipyridine Ligand: Synthesis, Structure, and Photophysical and Chiroptical Properties

Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient

Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands

Enantiopure Cycloiridiated Complexes Bearing a Pentahelicenic N-Heterocyclic Carbene and Displaying Long-Lived Circularly Polarized Phosphorescence

Enantioselective Recognition of Ammonium Carbamates in a Chiral Metal-Organic Framework.

Exciton coupling in diketopyrrolopyrrole-helicene derivatives leads to red and near-infrared circularly polarized luminescence.

Exploring a reaction mechanism for acetato ligand replacement in paddlewheel tetrakisacetatodirhodium (II,II) complex by ammonia: computational density functional theory study

Exploring the conformational space of cobalt(III)-salen catalyst for CO2 /epoxide copolymerization: Effect of quaternary ammonium salts on preference of alternative isomers

Giant Faraday Rotation in Mesogenic Organic Molecules

Half-Metallocene Titanium(IV) Phenyl Phenoxide for High Temperature Olefin Polymerization: Ortho-Substituent Effect at Ancillaryo-Phenoxy Ligand for Enhanced Catalytic Performance

Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching

Helicenes Grafted with 1,1,4,4-Tetracyanobutadiene Moieties: π-Helical Push-Pull Systems with Strong Electronic Circular Dichroism and Two-Photon Absorption

Influence of CH2Cl2for the structure stabilization of the NiIIcomplex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2

Influence of carbon chain length on physical properties of 3FmHPhF homologues

Influence of fluorosubstitution on physical properties of the smectogenic chiral ester

Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S′-coordination in NiII complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2

Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments

Iron Alkynyl Helicenes: Redox-Triggered Chiroptical Tuning in the IR and Near-IR Spectral Regions and Suitable for Telecommunications Applications

Large-Scale Synthesis of Helicene-Like Molecules for the Design of Enantiopure Thin Films with Strong Chiroptical Activity.

Long-Lived Circularly Polarized Phosphorescence in Helicene-NHC Rhenium(I) Complexes: The Influence of Helicene, Halogen, and Stereochemistry on Emission Properties

Modulation of Chiroptical Properties in a Series of Helicene-like Compounds

Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems

Molecular Deformation, Charge Flow, and Spongelike Behavior in Anion-π {[M(CN)4 ]2- ;[HAT(CN)6 ]}∞ (M=Ni, Pd, Pt) Supramolecular Stacks

On Conformational Flexibility of Half-Titanocene Catalysts with Aryloxy Ligands for High-Temperature Olefin Polymerization Processes: Static and Dynamic Theoretical Studies†

On preference of insertion mechanism in the ethylene polymerization catalyzed by half-titanocene complexes with aryloxy ligands: Static and dynamic theoretical studies

On the Border between Low-Nuclearity and One-Dimensional Solids: A Unique Interplay of 1,2,4-Triazolyl-Based {CuII5(OH)2} Clusters and MoVI-Oxide Matrix

On the nature of Ni⋯Ni interaction in a model dimeric Ni complex

Optical rotation calculated with time-dependent density functional theory: the OR45 benchmark

Palladium Acetate Revisited: Unusual Ring-Current Effects, One-Electron Reduction, and Metal-Metal Bonding

Phosphahelicenes: From Chiroptical and Photophysical Properties to OLED Applications

Photophysical properties of 1-pyridine-3-phenylpyrazoloquinoline and molecular logic gate implementation

QTAIM and ETS-NOCV analyses of intramolecular CH···HC interactions in metal complexes

Redox-Active Chiroptical Switching in Mono- and Bis-Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity

Redox-triggered chiroptical switching activity of ruthenium(III)-bis-(β-diketonato) complexes bearing a bipyridine-helicene ligand.

Role of Ancillary Ligands in a Description of Copper(I)−Bis(trimethylsilyl)acetylene bonding. A Theoretical Study

Ruthenium-Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching

Ruthenium-Vinylhelicenes: Remote Metal-Based Enhancement and Redox Switching of the Chiroptical Properties of a Helicene Core

Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]

Spin ground state and magnetic properties of cobalt(II): relativistic DFT calculations guided by EPR measurements of bis(2,4-acetylacetonate)cobalt(II)-based complexes

Sterically less-hindered half-titanocene(IV) phenoxides: ancillary-ligand effect on mono-, bis-, and tris(2-alkyl-/arylphenoxy) titanium(IV) chloride complexes

Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods

Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations

Synthesis and Chiroptical Properties of Hexa-, Octa-, and Deca-azaborahelicenes: Influence of Helicene Size and of the Number of Boron Atoms

Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III).

Theoretical Study on Epoxide Ring-opening in CO2/Epoxide Copolymerization Catalyzed by Bifunctional Salen-Type Cobalt(III) Complexes: Influence of Stereoelectronic Factors

Theoretical analysis of bonding in N-heterocyclic carbene-rhodium complexes.

Triskelion-shaped iridium-helicene NHC complex

Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation

Unravelling the structure of Magnus' pink salt

Valence-shell photoelectron circular dichroism of ruthenium( iii )-tris-(acetylacetonato) gas-phase enantiomers

enantio-Enriched CPL-active helicene-bipyridine-rhenium complexes