Article
Chemistry, Multidisciplinary
Julia R. Dorsheimer, Melissa A. Ashley, Tomislav Rovis
Summary: This study reports a new method to activate alpha-3 degrees amines for deaminative arylation by condensing with an electron-rich aldehyde and combining this reactivity with nickel metallaphotoredox to generate benzylic quaternary centers. The reaction is accelerated by added ammonium salts, which inhibit nickel black formation and accelerate the overall reaction rate. The study demonstrates a broad scope of coupling partners and shows an expedited synthesis of ALK2 inhibitors.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Wenchao Chu, Tongliang Zhou, Elwira Bisz, Blazej Dziuk, Roger Lalancette, Roman Szostak, Michal Szostak
Summary: IPr* and CAAC ligands, with their electron-rich properties, have been successfully combined to expand the applications of transition-metal catalysis. These ligands show excellent catalytic performance and flexibility in Cu-catalyzed reactions.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Lei Hu, Damien Mahaut, Nikolay Tumanov, Johan Wouters, Laurent Collard, Raphael Robiette, Guillaume Berionni
Summary: The study synthesized ortho-substituted and unsymmetrical 9-phospha-triptycenes with cage-shaped structures, revealing electron-poor and greatly steric shielding effects in these phosphines. An unsymmetrical 9-phosphatriptycene was resolved by chiral HPLC, opening up new possibilities for stable P-chirogenic triarylphosphines in asymmetric transition-metal catalysis.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Thukkaiyandi Shapterhasmi, Narasimman Palani, Marappan Velusamy, Nattamai S. P. Bhuvanesh, Karuppasamy Sundaravel, Shanmugam Easwaramoorthi
Summary: Six new mononuclear iron(III) complexes with tridentate all-nitrogen donor ligands have been synthesized and evaluated as functional models for catechol dioxygenase enzymes. These complexes exhibit good activity and selectivity for carbon-carbon bond-cleaving reactions.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Inorganic & Nuclear
Sergei V. Tatarin, Paulina Kalle, Ilya V. Taydakov, Evgenia A. Varaksina, Vladislav M. Korshunov, Stanislav I. Bezzubov
Summary: The introduction of bulky ligands in the design and preparation of iridium(III) complexes can enhance their reactivity and flexibility, making them promising as photocatalysts and biologically active molecules.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Jose B. Roque, Tyler P. Pabst, Paul J. Chirik
Summary: The use of bis(silylene)pyridine cobalt(III) dihydride boryl as a precatalyst enables efficient hydrogen isotope exchange reactions, including deuterium incorporation at sterically hindered sites and high chemoselectivity towards aryl halides.
Article
Chemistry, Organic
Shan Shan Ng, Zicong Chen, On Ying Yuen, Chau Ming So
Summary: A novel family of phosphine ligands was designed and synthesized, which showed excellent catalytic efficiency in the synthesis of triortho-substituted biaryls. The coordination mode of the ligand with palladium was confirmed by single-crystal X-ray crystallography.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Chih-Yu Chen, Ming-Li Tsai
Summary: A Cu(I) complex was successfully synthesized and characterized, showing a regular trigonal geometry around each Cu(I) center and efficient oxidation reactivity towards oxygen and PhlO. The molecular identity of the oxidized product was tentatively assigned, and the oxidation reactions of the complex with specific substrates were investigated both stoichiometrically and catalytically.
DALTON TRANSACTIONS
(2022)
Article
Medicine, Research & Experimental
Yilue Zhang, David S. Richards, Elizabeth N. Grotemeyer, Timothy A. Jackson, Christian Schoneich
Summary: Citrate is a commonly used buffer that can form complexes with metals like Fe3+. These complexes have been found to generate carbon dioxide radical anion (center dot CO2-) under light exposure. In this study, spin trapping and mass spectrometry were used to investigate the mechanism of center dot CO2- formation from Fe3+-citrate complexes.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Multidisciplinary
V. G. Sokolov, D. A. Lukina, A. A. Skatova, M. V. Moskalev, E. V. Baranov, I. L. Fedushkin
Summary: The study discovered the oxidation of samarium and ytterbium complexes using iodine or triphenyltin chloride, resulting in the synthesis of various new compounds characterized by IR spectroscopy and elemental analysis, with the molecular structures of some compounds determined by X-ray diffraction.
RUSSIAN CHEMICAL BULLETIN
(2021)
Article
Chemistry, Physical
Awal Noor, Sadaf Qayyum, Zafar Ali, Niaz Muhammad
Summary: Reacting sterically hindered 1,3-bis(2,6-diethylphenyl)thiourea ligand (L) with various metal salts in acetonitrile yielded bulky thiourea ligand stabilized monomeric complexes. Structural characterization revealed tetrahedral or square planar geometries for different metal complexes. Intermolecular hydrogen bonding and significant intermolecular interactions in the crystal network were observed. Molecular docking analysis showed higher SARS-CoV-2 enzyme interacting abilities of the synthesized complexes compared to the free ligand. The compounds were characterized by elemental analyses, NMR spectroscopy, and single-crystal X-ray diffraction. (c) 2022 Elsevier B.V. All rights reserved.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Inorganic & Nuclear
V. G. Sokolov, D. A. Lukina, A. A. Skatova, I. L. Fedushkin, E. V. Baranov, M. A. Kiskin
Summary: This article investigates the reaction of Ar-BIG-bian with the alkali metal europium, leading to the formation of two different complex structures, which are characterized and confirmed through a series of experiments and analysis methods.
JOURNAL OF STRUCTURAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Boxuan Yang, Xitong Song, Binju Wang
Summary: The diiron active site plays a crucial role in catalytic transformations in both biological and chemical systems. Recent advancements in the field include the synthesis of biomimetic diiron catalysts inspired by the active structure of soluble methane monooxygenase (sMMO), which have been successfully applied to the dehydrogenation of indolines.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2024)
Article
Chemistry, Multidisciplinary
Nasser Nasser, Richard J. Puddephatt
Summary: Through crystallographic characterization, a mixture of gold(III) complexes, including an amide complex [AuCl2{& κ;2-N,N'-2-C5H4NC(=O)N(t-Bu)] and an aldolate complex [AuCl2{& κ;2-N,O-2-C5H4NCH(OMe)O)], was obtained by recrystallization of the oxaziridine derivative 2-t-butyl-3-(2-pyridinyl)oxaziridine with Na[AuCl4].2H2O from a solvent mixture containing methanol. It is suggested that these products are formed after O-N or C-N bond cleavage of the strained oxaziridine ring upon coordination to the gold(III) center. NMR spectroscopic monitoring showed that O-N bond cleavage of the oxaziridine ring was favored in the presence of a protic solvent. Coordination of an oxaziridine to gold(III) can result in N-O or C-O bond cleavage, yielding an amide or an aldolate complex of gold(III), respectively.
Article
Chemistry, Multidisciplinary
Denis A. Bashirov, Dmitry S. Kolybalov, Olga A. Mironova, Taisiya S. Sukhikh, Sergey N. Konchenko
Summary: In this study, homoleptic complexes containing three bulky formamidinate ligands were successfully synthesized using the salt metathesis approach. The method was found to be unsuitable for metals smaller than Eu, and a spontaneous reduction of Eu(iii) to Eu(ii) was observed. UV-Vis spectroscopy monitoring indicated that the reaction is a zero-order process.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Larica Pathaw, Duraiyarasu Maheshwaran, Thavasilingam Nagendraraj, Themmila Khamrang, Marappan Velusamy, Ramasamy Mayilmurugan
Summary: A series of copper(I) complexes have been synthesized and characterized, with some of them structurally analyzed using single-crystal X-ray analysis. These complexes exhibit emission properties in the solid-state, but weak emission in solution. Time-dependent density-functional theory calculations indicate charge transfers mainly occur between specific orbitals.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Zouaoui Setifi, Bruno Landeros-Rivera, Peter W. R. M. Corfield, Diego M. Gil, Julia Contreras-Garcia, Fatima Setifi, Helen Stoeckli-Evans
Summary: This study presents the solvothermal synthesis and crystal structure of [bis(thiocyanato-kappa-N)bis(tris(pyridin-2-yl-kappa N)amine)iron(II)]. It highlights the richness of non-covalent interactions in nitrile anion-metal complexes and provides a comprehensive analysis of the interaction energies and intra- and intermolecular bonding. The study also confirms the high-spin nature of the complex and identifies specific intermolecular interactions contributing to the stability of the crystal structure.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Sethuraman Muthuramalingam, Marappan Velusamy, Swati Singh Rajput, Mehboob Alam, Ramasamy Mayilmurugan
Summary: Novel nickel(II) complexes have been synthesized and shown to catalyze the conversion of atmospheric CO2 into organic cyclic carbonates. These complexes exhibit high catalytic efficiency at room temperature and 1 atm pressure, and can selectively convert a wide range of epoxides into cyclic carbonates.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Crystallography
A. Subashini, Reji Philip, Helen Stoeckli-Evans, K. Ramamurthi, R. Ramesh Babu
Summary: A new third-order nonlinear optical material, 4-fluoro-N-[4-(diethylamino)benzylidene]aniline (FDEABA), is synthesized and grown as single crystals using the slow evaporation method. The proton placement is confirmed through nuclear magnetic resonance spectral analysis. Fourier transform infrared spectral analysis is employed to identify vibrational frequencies of different functional groups of the FDEABA compound. The crystal structure of FDEABA is determined as monoclinic non-centrosymmetric space group P2(1) through single crystal X-ray diffraction studies. Hirshfeld surface analysis is used to study intermolecular interactions and compare with similar structures. Thermogravimetric and differential thermal analyses reveal the thermal stability of FDEABA, with a melting point of 51 ?. Open aperture Z-scan measurements show nonlinear optical absorption and strong optical limiting behavior at 532 nm, indicating potential applications in eye protection and sensitive optical detectors.
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
(2023)
Article
Chemistry, Physical
Nadir Ghichi, Amel Djedouani, Douniazed Hannachi, Chawki Bensouici, Ali Benboudiaf, Hocine Merazig, Helen Stoeckli-Evans
Summary: The title compound Q1 was successfully synthesized and characterized in this study. It exhibited average antioxidant activity and good optical properties, making it a potential candidate for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Materials Science, Biomaterials
Maheshwaran Duraiyarasu, S. Senthil Kumaran, Ramasamy Mayilmurugan
Summary: A dual-modal T1-MRI and optical imaging probe, Fe(C12CAT)3, was synthesized and characterized. The probe exhibited enhanced r1-relaxivity upon interaction with human serum albumin, allowing visualization of the acidic pH environment of cells.
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2023)
Article
Crystallography
A. Subashini, K. Ramamurthi, R. Ramesh Babu, Reji Philip, Helen Stoeckli-Evans
Summary: The crystal structure of the compound C13H9Br2N has been determined. It exists in two polymorphs, with Form II crystallizing in the orthorhombic space group Pccn and Form I crystallizing in the monoclinic space group P21/c. The molecules are disordered about an inversion center and show stacking along the b-axis in the crystal. Form II exhibits fluorescence and optical limiting behavior.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Ahmed Abderrahim Yahiaoui, Nadir Ghichi, Douniazed Hannachi, Bilel Mezhoud, Amel Djedouani, Khairedine Kraim, Aurelien Crochet, Helen Stoeckli-Evans
Summary: The title Schiff base compound, (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol, C19H17NO2 (I), was synthesized and characterized by various spectroscopies. The crystal structure analysis revealed the presence of dispersion forces, hydrogen bonds, and π-π interactions, resulting in a three-dimensional structure. The compound showed significant anticorrosion properties for iron and copper, which were confirmed by both experimental and computational methods.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Nadir Ghichi, Amel Djedouani, Douniazed Hannachid, Mohamed Elhadi Said, Ali Benboudiaf, Hocine Merazig, Louiza Ouksel, Abdelkader Hellal, Helen Stoeckli-Evans
Summary: In this study, two benzimidazole compounds were synthesized and shown to exhibit significant anticorrosion properties with respect to iron and copper.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Sethuraman Muthuramalingam, Marappan Velusamy, Ramasamy Mayilmurugan
Summary: The synthesis and characterization of nickel(II) complexes with different ligands as catalysts for the activation and conversion of atmospheric CO2 and epoxides into cyclic carbonates were carried out. Among them, Catalyst 4 showed the highest efficiency in forming cyclic carbonates with a high yield, representing the most efficient nickel(II)-based catalyst known to date.
DALTON TRANSACTIONS
(2021)
Article
Crystallography
Jessica Pacifico, Helen Stoeckli-Evans
Summary: This study reports the synthesis and structural characterization of two polymorphs of the tetrakis-substituted pyrazine carboxylic acid, investigating the differences in crystal structures, molecular conformations, and interactions within the crystals.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2021)
Article
Crystallography
Nisar Ullah, Helen Stoeckli-Evans
Summary: The two compounds described have similar structures, with high stability and similar molecular shapes. They crystallize in the same space group and exhibit comparable unit-cell parameters.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2021)
Article
Crystallography
Nisar Ullah, Helen Stoeckli-Evans
Summary: The compound crystallized as the hydrochloride salt, with the organic cation having a half-moon shape and containing a screw-boat conformation in the 3,4-dihydroquinolin-2(1H)-one moiety and a chair conformation in the piperazine ring. In the crystal, the cations are linked by hydrogen bonds and the chloride anion is connected to the cation by a hydrogen bond, forming a layered structure.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2021)
Article
Crystallography
Ana Tesouro Vallina, Helen Stoeckli-Evans
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2020)
Article
Crystallography
Ana Tesouro Vallina, Helen Stoeckli-Evans
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2020)