Publications related to Pentagonal bipyramidal molecular geometry

Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate isolated platinum phthalocyanine (PtPc) molecules adsorbed on an atomically thin NaCl(100) film vapor deposited on Au(111). We obtain good agreement between theory a ...

Amer Chemical Soc2024

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Sakthi Priya Amirtharaj

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

EPFL2024

Mechanistic Insight into Supramolecular Polymerization in Water Tunable by Molecular Geometry

Lukas Pfeifer

Supramolecular self-assembly in water based on non-covalent bonding is attracting major attention due to the potential of hydrogels and aqueous polymers in biomedical applications. Although supramolecular polymerization in organic solvents is well establis ...

CHINESE CHEMICAL SOC2022

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

Pierrick Berruyer, Moreno Lelli, David Benjamin Roger Antoine Gajan, Zhuoran Wang

The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...

AMER CHEMICAL SOC2022

Structure-Property Relationships of Microphase-Separated Metallosupramolecular Polymers

Emad Oveisi, Stephen Schrettl

The structural, thermomechanical, and viscoelastic properties of metallosupramolecular polymers (MSPs) can be controlled through the choice of the multiligand monomer and the nature of the metal salt from which these materials are assembled. This versatili ...

American Chemical Society2020

Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene–Trityl Radical

David Lyndon Emsley, Jacques-Edouard Moser, Aaron James Rossini, Dominik Józef Kubicki, Etienne Christophe Socie, Moreno Lelli, Gabriele Stevanato, Claudia Esther Avalos

Identifying and characterizing systems that generate well-defined states with large electron spin polarization is of high interest for applications in molecular spintronics, high-energy physics, and magnetic resonance spectroscopy. The generation of electr ...

2020

Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMR

David Lyndon Emsley, Andrea Bertarello

Most of our understanding of chemistry derives from atomic-level structures obtained with single-crystal X-ray diffraction. Metal centers in X-ray structures of small organometallic or coordination complexes are often extremely well-defined, with errors in ...

2020

Highly stable enzyme-mimicking nanocomposite of antioxidant activity

Bálint Náfrádi, Marko Pavlovic

A highly stable nanocomposite of antioxidant activity was developed by immobilization of a superoxide dismutase-mimicking metal complex on copolymer-functionalized nanoclay. The layered double hydroxide (LDH) nanoclays were synthesized and surface modifica ...

2019

Boosting the power conversion efficiency of perovskite solar cells to 17.7% with an indolo[3,2-b]carbazole dopant-free hole transporting material by improving its spatial configuration

Ulf Anders Hagfeldt, Xiaoqing Jiang

The development of facilely synthesized, dopant-free hole-transporting materials (HTMs) with high efficiency is of great significance for the potential application of perovskite solar cells (PSCs). Herein, we report two novel indolo[3,2-b]carbazole (ICZ) b ...

Royal Society of Chemistry2019

Plasmonic and Dielectric Metasurfaces for Molecular Specific Mid-IR Biosensors

Hatice Altug

Mid-infrared spectrum is powerful for biosensing application, as it encompasses the molecular vibrations that uniquely identify the biochemicals. Here, we will present our contributions using metal, graphene and dielectric based Mid-IR nanophotonics. ...

IEEE2018

Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands

Rosario Scopelliti, Kay Severin, Kurt Schenk, Philip Pattison, Euro Solari, Mathieu Jérémie Marmier, Matthew David Wise

Polycarboxylate ligands are among the most important building blocks for the synthesis of metal–organic frameworks (MOFs). The ability to access these ligands in an efficient way is of key importance for future applications of MOFs. Here, we demonstrate th ...

2016

Synthesis of molecular complexes for small molecule activation

Julie Renée Michelle Andrez

The redox chemistry of f-elements is drawing the attention of inorganic chemists due to their unusual reaction pathways. Notably low-valent f-element complexes have been shown to be able to activate small molecules such as CO2 and N2 in mild conditions. Co ...

EPFL2016

Transient versus Static Electron Spin Relaxation in Mn2+ Complexes Relevant as MRI Contrast Agents

Lothar Helm

The zero,-field splitting (ZFS) parameters of the Mn(EDTA)(H2O).2H(2)O. and [Mn(MeNO(2)A)(H2O)].2H(2)O systems were estimated by using DFT and ab initio CASSCF/NEVPT2 calculations (EDTA = (ethane-1,2-41bis(azanetriy1))tetraatetate; MeNO2A = 2,2'-(7-m ...

American Chemical Society2016

Infrared Vibrational Molecular Hybridization with a Single Optical Antenna

Hatice Altug

We observe impedance matched coupling between molecular vibrations and infrared optical antennas. Broadband synchrotron near-field spectroscopy reveals antenna-vibration hybridization, mode splitting, and tip excitation of coupled dark plasmon modes. ...

IEEE2015

Synthesis and structural elucidation of bioactive triorganotin (IV) derivatives of sodium deoxycholate

Rosario Scopelliti

Trimethyl (1), tributyl (2), and triphenyl tin (3) derivatives of sodium (R)-4-((3R, 5R, 8R, 9S, 10S, 12S, 13R, 14S, 17R)-3,12-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a] phenanthren-17-yl)pentanoate (sodium deoxycholate) were synthesized by re ...

Taylor & Francis Ltd2014

Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(IV) adducts

Kurt Schenk, Farzaneh Fadaei Tirani

Two triphenyltin(IV) adducts of difunctional ligands, N-(n-pyridinyl) diphenylphosphinic amide (n = 2 and 4), have been synthesized and characterized by H-1, P-31, Sn-119 NMR and IR spectroscopy. The spectroscopic properties of the complexes were compared ...

Royal Soc Chemistry2014

New Zn(II) complexes with N2S2 Schiff base ligands. Experimental and theoretical studies of the role of Zn(II) in disulfide thiolate-exchange

Kurt Schenk, Maryam Bagheri

Described are the synthesis and characterization of two, potentially tetradentate, N2S2 Schiff-base ligands, containing a disulfide bond, N,N'-bis(3-phenylprop-2-en-l-ylidene)-2,2'-disulfanediyldianiline (L-1) and N,N'-bis(3,3-diphenylprop-2-en-1-ylidene)- ...

Elsevier2014

Harvesting UV Photons for Solar Energy Conversion Applications

Jacques-Edouard Moser, Magdalena Anna Marszalek, Mateusz Barnaba Wielopolski

We report the synthesis and characterization of five new donor–π–spacer–acceptor dye molecules with a diphenylamine donor, fluorene–1,2,5-oxadiazole spacers and a range of acceptor/anchor groups (carboxylic acid 1, cyanoacrylic acid 2 and 3, alcohol 4 and ...

Royal Soc Chemistry2014

The Intricate Chemistry of Cobalt(II) Halides and Bis(diphenylphosphanyl)ethane

Rosario Scopelliti, Kay Severin, Heron Vrubel, Gregor Kiefer

Phosphane complexes of the putative formula [CoX2(dppe)] [X = Cl, Br, I; dppe = bis(diphenylphosphanyl)ethane] are frequently used catalyst precursors in cobalt-catalyzed reactions. Despite their widespread use, these complexes have not been structurally c ...

Wiley-Blackwell2013

Benign synthesis of the unsymmetrical ligand N-(quinolin-8-yl) pyrazine-2-carboxamide. Preparation, electrochemistry, antibacterial activity, and crystal structures of Cu(II) and Zn(II) complexes

Farzaneh Fadaei Tirani

Hqpzc has been synthesized by a highly efficient procedure using the ionic liquid TBAB as an environmentally benign reaction medium. [Cu(qpzc)(OAc)]H2O (1) and [Zn(qpzc)(OAc)(H2O)] (2), complexes of the deprotonated ligand, qpzc [qpzc ...

Taylor & Francis Ltd2013