Publications related to Cis effect

Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”

Kay Severin, Farzaneh Fadaei Tirani, Damien Wen Chen, Jean Charles Edouard de Montmollin, Atena-Bianca Solea

Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...

2024

Bimodal atomic force microscopy for the characterization of thiolated self-assembled monolayers

Francesco Stellacci, Quy Ong Khac, Nikolaos Nianias, Evangelia-Nefeli Athanasopoulou

Surface coatings are becoming an integral part of materials. In recent years, molecular coatings have found larger acceptance and uses. Among them, self-assembled monolayers (SAMs) are attractive due to their inherent versatility, manufacturability, and sc ...

ROYAL SOC CHEMISTRY2018

Characterization of Ligand Shell for Mixed-Ligand Coated Gold Nanoparticles

Francesco Stellacci, Quy Ong Khac, Zhi Luo

Gold nanoparticles owe a large number of their properties to their ligand shell. Indeed, many researchers routinely use mixtures of ligand molecules for their nanoparticles to impart complex property sets. It has been shown that the morphology of ligand sh ...

American Chemical Society2017

Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations

Kurt Schenk, Farzaneh Fadaei Tirani

Some triphenyltin(IV) adducts with a family of diphosphoryl ligands, RR'P(O)-X-P(O)RR' (R = OPh, Ph, R' = R, An (aniline)) and X = 1,4-OC6H4O, 1,4-OC6H4NH, 1,4-NHC6H4NH 1,4-(NHCH2)(2)C6H4, 1,3-(NHCH2)(2)C6H4 and piperazine have been synthesized and charact ...

Royal Soc Chemistry2015

Origin of the Spectral Shifts among the Early Intermediates of the Rhodopsin Photocycle

Ursula Röthlisberger, Ivano Tavernelli, Pablo Campomanes Ramos, Marilisa Neri, Stefano Vanni, Bruno Araujo Cautiero Horta

A combined strategy based on the computation of absorption energies, using the ZINDO/S semiempirical method, for a statistically relevant number of thermally sampled configurations extracted from QM/MM trajectories is used to establish a one-to-one corresp ...

2014

(Arene)ruthenium Complexes with Imidazolin-2-imine and Imidazolidin-2-imine Ligands

Rosario Scopelliti, Kay Severin, Justus Tönnemann

Imidazolin-2-imine and imidazolidin-2-imine ligands are versatile N donors in transition metal chemistry. Here, we describe the synthesis and characterization of (arene)Ru complexes with these ligands. Simple adducts of the type [(p-cymene)Ru(L)Cl-2] (L = ...

Wiley-Blackwell2014

High-Resolution Scanning Tunneling Microscopy Characterization of Mixed Monolayer Protected Gold Nanoparticles

Francesco Stellacci, Quy Ong Khac, Mauro Moglianetti, Paulo Henrique Jacob Silva, Javier Reguera Gomez, Kellen Michael Harkness, Christoph Renner

Gold nanoparticles protected by a binary mixture of thiolate molecules have a ligand shell that can spontaneously separate into nanoscale domains. Complex morphologies arise in such ligand shells, including striped, patchy, and Janus domains. Characterizat ...

American Chemical Society2013

IR spectroscopy of isolated metal-organic complexes of biocatalytic interest: Evidence for coordination number four for Zn2+(imidazole)(4)

Ulrich Lorenz

The characterization of the interactions of Zn2+ ions with imidazole ligands is vital for understanding the function of a plethora of zinc enzymes at the molecular level. The infrared multiple photon dissociation (IRMPD) spectrum of mass selected Zn2+(imid ...

2011

Mn2+ Complexes with 12-Membered Pyridine Based Macrocycles Bearing Carboxylate or Phosphonate Pendant Arm: Crystallographic, Thermodynamic, Kinetic, Redox, and 1H/17O Relaxation Studies

Lothar Helm, Eva Jakab Toth

Mn2+ complexes represent an alternative to Gd3+ chelates which are widely used contrast agents in magnetic resonance imaging. In this perspective, the authors studied the Mn2+ complexes of two 12-membered, pyridine-contg. macrocyclic ligands bearing one pe ...

2011

Binding of Organometallic Ruthenium(II) Anticancer Compounds to Nucleobases: A Computational Study

Ursula Röthlisberger, Ivano Tavernelli, Christian Gossens

The reaction of the anticancer compound (eta(6)-benzene)Ru(en)(OH2) (1) toward the nucleobases guanine, adenine, and cytosine is studied computationally using DFT/BP86 calculations. The aqua leaving group of such compounds is known to undergo ligand ...

2009

Water-Exchange Study Revealed Unexpected Substitution Behavior of [(CO)2(NO)Re(H2O)3]2+ in Aqueous Media

André Merbach, Lothar Helm, Pascal Grundler, Marie-Line Lehaire

The pH-dependent water-exchange rates of [(CO)2(NO)Re(H2Ocis)2(H2Otrans)]2+ (1) in aq. media were investigated by means of 17O NMR spectroscopy at 298 K. Because of the low pKa value found for 1 (pKa = 1.4 ± 0.3), the water-exchange rate const. kobsH2Otran ...

2006

Kinetic studies on the first dihydrogen aquacomplex, [Ru(H2)(H2O)5]2+: Formation under H2 pressure and catalytic H/D isotope exchange in water

André Merbach, Lothar Helm, Gabor Laurenczy, Oleg Yazyev, Pascal Grundler

The ruthenium(II) hexaaqua complex [Ru(H2O)6]2+ reacts with dihydrogen under pressure to give the h2-dihydrogen ruthenium(II) pentaaqua complex [Ru(H2)(H2O)5]2+.The complex was characterized by 1H, 2H and 17O NMR: d H = -7.65 ppm, J HD = 31.2 Hz, d O = -80 ...

2006