Publication

Syntheses, characterizations, X-ray crystal structures, and antibacterial activities of Co( II), Ni( II), and Zn( II) complexes of the Schiff base derived from 5-nitro-2hydroxybenzaldehyde and benzylamine

Publications associées (60)

Novel osmium(II)-cymene complexes containing curcumin and bisdemethoxycurcumin ligands

Paul Joseph Dyson, Lucinda Kate Batchelor

The first examples of (arene)Os(II) curcuminoid derivatives have been prepared and characterized. The neutral complexes [(p-cym)Os(curc)Cl] (1) and [( p-cym)Os(bdcurc)Cl] ( 2), together with the cationic derivatives [( p-cym)Os(curc)(PTA)][SO3CF3] (3) and ...

ROYAL SOC CHEMISTRY2019

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Influence of Functionalized η6 -Arene Rings on Ruthenium(II) Curcuminoids Complexes

Paul Joseph Dyson, Rosario Scopelliti, Laure Debora Pittet, Tina Riedel, Agnese Petrini

A series of organometallic Ru(II) complexes containing functionalized η6‐arene ligands, together with curcumin and bisdemethoxycurcumin as O,O’‐chelating ligands and their RAPTA (ruthenium arene complexes bearing the 1,3,5‐triaza‐7‐phosphaadamantane ligand ...

2018

Positional Variance in NMR Crystallography

David Lyndon Emsley, Albert Hofstetter

We propose a method to quantify positional uncertainties in crystal structures determined by chemical-shift-based NMR crystallography. The method combines molecular dynamics simulations and density functional theory calculations with experimental and compu ...

American Chemical Society2017

Single Crystal Growth, Structure, and Electronic Properties of Metallic Delafossite PdRhO2

Philip Johannes Walter Moll

We report growth of single crystals of the nonmagnetic metallic delafossite PdRhO2, comparing the results from three different methods. Complete crystallographic data were obtained from single crystal X-ray diffraction, and electronic structure calculation ...

2017

Benign synthesis of quinolinecarboxamide ligands, H(2)bqbenzo and H(2)bqb and their Pd(II) complexes: X-ray crystal structure, electrochemical and antibacterial studies

Farzaneh Fadaei Tirani, Maryam Bagheri

Two carboxamide ligands, H(2)bqbenzo {3,4-bis(2-quinolinecarboxamido)benzophenone} and H(2)bqb {N,N-bis[(2-quinolinecarboxamide)-1,2-benzene]}, have been prepared using tetrabutylammonium bromide as an environmentally benign reaction medium. Two new Pd(II) ...

Taylor & Francis Ltd2017

Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution

Andrew Francis Dalebrook

Regioselective electrophilic substitution reactions of the iridabenzofurans [Ir(C7H5O{OMe-7})(CO)(PPh3)(2)]-[OTf] (1) and IrCl(C7H5O{OMe-7})(PPh3)(2) (2) provide a convenient route to mononitro-, dinitro-, and mixed nitro-/halo- substituted derivatives. Tr ...

Amer Chemical Soc2016

Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties

Henrik Moodysson Rønnow, Kurt Schenk, Philip Pattison, Krunoslav Prsa, Arash Alahgholipour Omrani, Noore Elahi Shaik

A 1D, end-on azido- and phenoxo-bridged, coordination polymer, Cu-2(mu-NAPPR)(mu(1,1)-N-3)(2) (1), (NAPPR(2-) = 1,3-bis(naphthylideneimino) propane dianion), was synthesized and characterized. The 1D branched-chain is built of two types of slightly di ...

2015

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

Kurt Schenk

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

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