Publications related to Pi backbonding

Molecular imine cages with π-basic Au3(pyrazolate) faces

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Noga Eren

One tetrahedral and two trigonal prismatic cages with π-basic Au3(pyrazolate)3 faces were obtained by connection of pre-formed gold complexes via dynamic covalent imine chemistry. The parallel arrangement of the Au3(pyrazolate)3 complexes in the prismatic ...

2024

The fundamental relation between electrohelicity and molecular optical activity

Marc Hamilton Folkmann Garner

Electrohelicity arises in molecules such as allene and spiropentadiene when their symmetry is reduced and helical frontier molecular orbitals (MOs) appear. Such molecules are optically active and electrohelicity has been suggested as a possible design prin ...

ROYAL SOC CHEMISTRY2023

Synergic Effect of Dendrite-Free and Zinc Gating in Lignin-Containing Cellulose Nanofibers-MXene Layer Enabling Long-Cycle-Life Zinc Metal Batteries

Kangning Zhao, Zequan Li, Xu Zhang

Uncontrollable zinc dendrite growth and parasitic reactions have greatly hindered the development of high energy and long life rechargeable aqueous zinc-ion batteries. Herein, the synergic effect of a bifunctional lignin-containing cellulose nanofiber (LCN ...

WILEY2022

Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Andrzej Sienkiewicz, Zhaowen Dong

Mesoionic imidazolylidenes are recognized as excellent electron-donating ligands in organometallic and main group chemistry. However, these carbene ligands typically show poor π-accepting properties. We have performed a computational analysis of 71 mesoion ...

2021

Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Paul Varava, Wolfram Feuerstein

Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...

2021

Hetero-Bis-Conjugation of Bioactive Molecules to Half-Sandwich Ruthenium(II) and Iridium(III) Complexes Provides Synergic Effects in Cancer Cell Cytotoxicity

Paul Joseph Dyson, Lucinda Kate Batchelor, Mouna Hadiji

Four bipyridine-type ligands variably derivatized with two bioactive groups (taken from ethacrynic acid, flurbiprofen, biotin, and benzylpenicillin) were prepared via sequential esterification steps from commercial 2,2'-bipyridine-4,4'-dicarboxylic acid an ...

AMER CHEMICAL SOC2021

Spectroscopic Evidence for Peptide-Bond-Selective Ultraviolet Photodissociation

Vladimir Kopysov, Aleksandr Pereverzev

We study the photodissociation induced by ultraviolet excitation of amide bonds in gas-phase protonated peptides. Jointly, mass spectrometry and cold ion spectroscopy provide evidence for a selective non-statistical dissociation of specific peptide bonds i ...

2020

Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective

Berend Smit, Ivano Tavernelli, Maria Fumanal Quintana

The vast chemical space of metal and ligand combinations in Transition Metal Complexes (TMCs) gives rise to a rich variety of electronic excited states with local and non-local character such as intra-ligand (IL), metal-centered (MC), metal-to-ligand (MLCT ...

2020

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Pi backbonding

Molecular imine cages with π-basic Au3(pyrazolate) faces

The fundamental relation between electrohelicity and molecular optical activity

Synergic Effect of Dendrite-Free and Zinc Gating in Lignin-Containing Cellulose Nanofibers-MXene Layer Enabling Long-Cycle-Life Zinc Metal Batteries

Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study

Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes

Hetero-Bis-Conjugation of Bioactive Molecules to Half-Sandwich Ruthenium(II) and Iridium(III) Complexes Provides Synergic Effects in Cancer Cell Cytotoxicity

Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation

Understanding the design principles of organic sensitizers for highly efficient dye sensitized solar cells

Spectroscopic Evidence for Peptide-Bond-Selective Ultraviolet Photodissociation

Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective

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Synergic Effect of Dendrite-Free and Zinc Gating in Lignin-Containing Cellulose Nanofibers-MXene Layer Enabling Long-Cycle-Life Zinc Metal Batteries

The fundamental relation between electrohelicity and molecular optical activity

Hetero-Bis-Conjugation of Bioactive Molecules to Half-Sandwich Ruthenium(II) and Iridium(III) Complexes Provides Synergic Effects in Cancer Cell Cytotoxicity

Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation

Understanding the design principles of organic sensitizers for highly efficient dye sensitized solar cells

Spectroscopic Evidence for Peptide-Bond-Selective Ultraviolet Photodissociation

Optical absorption properties of metal-organic frameworks: solid stateversusmolecular perspective

Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study