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 CHEMISTRY2019Advanced Computational Methods for NMR Crystallography
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 ...
EPFL2019Rapid 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 ...
2019Influence 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 ...
2018Positional 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 Society2017Single Crystal Growth, Structure, and Electronic Properties of Metallic Delafossite PdRhO2
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 ...
2017Benign 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 Ltd2017Regioselective Nitration and/or Halogenation of Iridabenzofurans through Electrophilic Substitution
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 Soc2016Intrachain 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 ...
2015Triphenyltin(IV) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations
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