Publications related to Antiaromaticity

Synthesis of hyperbranched polyarylethenes by consecutive C–H vinylation reactions

Kay Severin, Albert Ruggi, Anastasia Gitlina

A novel procedure for the synthesis of polyarylethenes is described. Consecutive C–H vinylation reactions of tetraphenylethene with a triphenylethenyl triazene give hyperbranched polyarylethenes of variable sizes. The vinylation reactions are mediated by a ...

2023

Ni-Based Nanoparticles Catalyzed Hydrodeoxygenation of Ketones, Ethers, and Phenols to (Cyclo) Aliphatic Compounds

Paul Joseph Dyson, Mingyang Liu, Xiang Li, Yelin Hu, Matthias Beller

Catalytic hydrodeoxygenation is of prime importance in the valorization of biomass-based feedstocks to produce essential chemicals and fuels. To carry out this process in a more cost-effective and sustainable manner, the use of 3D-metal-based nanostructure ...

Amer Chemical Soc2023

Identification of Isomeric Lipids by UV Spectroscopy of Noncovalent Complexes with Aromatic Molecules

Oleg Boyarkine, Ruslan Yamaletdinov

The tremendous structural and isomeric diversity of lipids enables a wide range of their functions in nature but makes the identification of these biomolecules challenging. We distinguish and quantify isomeric lipids using cold ion UV fragmentation spectro ...

AMER CHEMICAL SOC2021

Long‐Lived Photocharges in Supramoelcular Polymers of Low‐Bandgap Chromophores

Andrzej Sienkiewicz, Holger Frauenrath, Daniel Görl, Regina Judith Hafner

Photoinduced charge separation in supramolecular aggregates of π‐conjugated molecules is a fundamental photophysical process, and a key criterion for the development of advanced organic electronics materials. Here, we report on the self‐assembly of novel l ...

2020

Preventing Lignin Condensation to Facilitate Aromatic Monomer Production

Jeremy Luterbacher, Wu Lan

Lignin is the most abundant aromatic polymer in nature and as such is an attractive source of aromatic molecules. Efficient lignin utilization will also likely play a key role in the economic success and sustainability of biomass valorization schemes. Howe ...

2019

Production and characterization of stabilized lignin

Masoud Talebi Amiri

Lignocellulosic biomass is a sustainable source of renewable carbon, and it is the most abundant form of terrestrial biomass. The three main constituents of lignocellulosic biomass are cellulose, hemicellulose, and lignin. The monomers from these biopolyme ...

EPFL2019

Saddle-like, π-conjugated, cyclooctatetrathiophene-based, hole-transporting material for perovskite solar cells

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Giulia Grancini, Inés Garcia Benito, Javier Urieta Mora

A flexible, saddle-like, π-conjugated skeleton composed of four fused thiophene rings forming a cyclooctatetrathiophene (CoTh) with four triphenylamines (CoTh-TTPA) is presented as a hole-transporting material (HTM) for perovskite solar cells. The new HTM ...

Royal Society of Chemistry2019

Dissolved Organic Matter and Associated Trace Metal Dynamics from River to Lake, Under Ice-Covered and Ice-Free Conditions

Natacha Tofield-Pasche, Hannah Elisa Chmiel

The present study investigates the changes in dissolved organic matter (DOM) composition and its influences on trace metal dispersion from the Shuya River (SR) in the Petrozavodsk Bay of Lake Onega during ice covered and ice-free periods. Humic substances ...

2019

Interplay of H-Bonds with Aromatics in Isolated Complexes Identifies Isomeric Carbohydrates

Oleg Boyarkine, Ruslan Yamaletdinov, Vladimir Kopysov, Aleksandr Pereverzev

The tremendous isomeric diversity of carbohydrates enables a wide range of their biological functions but makes the identification and study of these molecules difficult. We investigated the ability of intermolecular interactions to communicate structural ...

Wiley-VCH Verlag GmbH2019

Effects of dissolved organic matter on the phototransformation of aromatic amines in surface waters

Frank Jonathan Leresche

Dissolved Organic Matter (DOM) is a complex mixture of thousands of organic molecules ubiquitously present in surface waters. Its influence on the photodegradation of organic contaminants is a complicated topic. For decades DOM had been mostly assumed to h ...

EPFL2016

Evaluation and analysis of vibrationally resolved electronic spectra with ab initio semiclassical dynamics

Marius Wehrle

Linear and nonlinear spectroscopy techniques are widely used to study numerous important chemical and physical processes. However, the interpretation of these experimental spectra often becomes very complicated because a particular spectrum constitutes a m ...

EPFL2015

On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes

Jiri Vanicek, Miroslav Sulc, Marius Wehrle

Vibrationally resolved spectra provide a stringent test of the accuracy of theoretical calculations. We combine the thawed Gaussian approximation (TGA) with an on-the-fly ab initio (OTF-AI) scheme to calculate the vibrationally resolved emission spectra of ...

American Institute of Physics2014

Computational Quantum Chemical Studies on Radicals : from the Gas Phase to Aqueous Solution

Peter Rudolf Tentscher

Radicals play an important role in many areas of chemistry, such as atmospheric, aquatic, polymer, and biological, to name a few. Radicals are often highly reactive species which are short-lived and therefore harder to study by experimental techniques. In ...

EPFL2013

Tuning the Chemoselectivity of Rh Nanoparticle Catalysts by Site-Selective Poisoning with Phosphine Ligands: The Hydrogenation of Functionalized Aromatic Compounds

Paul Joseph Dyson, Gabor Laurenczy, Ning Yan, Weijia Gan, Dennis Snelders

The hydrogenation of phenylacetone to cyclohexylacetone, in which the aromatic ring is selectively reduced in preference to the carbonyl group, has been achieved with chemoselectivities exceeding 90%. The catalyst (precatalyst) used to achieve this transfo ...

2012

Effects of sonochemical parameters and inorganic ions during the sonochemical degradation of crystal violet in water

César Pulgarin, Fernando Guzman Duque

This work deals with the ultrasonic degradation (800 kHz) of crystal violet (CV) under different experimental conditions. The effects of saturating gas (argon, carbon dioxide and air), CV concentration (2.45-1225 mu mol L-1), pH (3-9) and power (20-80 W) w ...

2011

Phosphonium and Ammonium Ionic Liquids with Aromatic Anions: Synthesis, Properties, and Platinum Extraction

Michael Groessl

Several hydrophobic long-chain quaternary ammonium and phosphonium ionic liquids (ILs) with functionalized aromatic anions were prepared following a metathesis route using tricaprylmethylammonium chloride (Aliquat 336) and trihexyl(tetradecyl) phosphonium ...

2010

Simulation and estimation of normal dispersion phenomenon in an acentric organic crystal (NPP) by the quantum photonic approach

Ahmad Ajdar Zadeh Oskouei

In this paper, we present a nano-quantum photonic approach for the calculation of normal dispersion phenomena in organic crystals such as N-(4-nitrophenyl)-L-prolinol(NPP). We assume that a laser beam consists of a flow of energetic particles that interact ...

2007