Article
Chemistry, Multidisciplinary
Peng-Cheng Duan, Roland Alexander Schulz, Anton Roemer, Benjamin E. Van Kuiken, Sebastian Dechert, Serhiy Demeshko, George E. Cutsail, Serena DeBeer, Ricardo A. Mata, Franc Meyer
Summary: The dinickel(II) dihydride complex, formed by the combination of a pyrazolate-based ligand with beta-diketiminato (nacnac) chelate arms, can readily eliminate hydrogen and act as a masked dinickel(I) species. The synthesized dinickel(I) complexes exhibit two adjacent T-shaped metalloradicals that are antiferromagnetically coupled, allowing for metal-metal cooperative substrate reductions. Additionally, X-ray crystallography reveals distinct positions of K+ in different complexes, suggesting stabilizing interactions with the dihydride unit.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Inorganic & Nuclear
Patrick J. Desrochers, Ali Abdulrahim, Katherine R. Demaree, Joseph A. Fortner, Jamie D. Freeman, Makenzie Provorse Long, Madison E. Martin, Carlos J. Gomez-Garcia, Nikolay Gerasimchuk
Summary: The optical, structural, and magnetic properties of iron(II,III) sandwich complexes, Fe(Tp ')2n+ (Tp ' = bis(3,5-dimethylpyrazolyl)benzotriazolylborate), are described. The intensely colored FeII(Tp ')2 (orange) and FeIII(Tp ')2+ (purple) show strong MLCT bands. Geometric isomerism for M(Tp ')2 is established crystallographically in the racemate of chiral cis-Fe(Tp ')2. For the first time, paramagnetic 11B NMR describes solution-phase low-spin (LS, S 0) to high-spin (HS, S = 2) crossover behavior in Fe(Tp ')2. Thermochemical parameters for solution-phase SCO of Fe(Tp ')2 demonstrate the endothermic LS to HS conversion and entropic preference of the HS state. Entropy changes for both Fe(Tp ')2 isomers are significantly larger than for the majority of iron scorpionate SCO systems. Solid-state magnetic and thermochemical measurements show cis-Fe(Tp ')2 to be thermally stable up to 520 K, allowing experimental investigation of a solid-state SCO magnetic hysteresis of over 45 K. A large solution vs solid-state SCO difference was observed: cis-Fe(Tp ')2 shows Tc Pe. 270 K (solution) and Tc Pe. 385 K (solid), with the remarkably wide Delta Tc Pe. 115 K; trans-Fe(Tp ')2 shows Tc Pe. 278 K (solution) and Tc Pe. 372 K (solid). Solid-state Tc values are among the highest seen for iron(II) molecular systems. The large solution/solid Delta Tc difference is explained by anchoring intermolecular interactions in the solid state that prevent thermal expansion of the LS iron(II) coordination sphere in its transition to the HS state. DFT calculations, validated against LS cis-Fe(Tp ')2 crystallography and LS to HS SCO thermochemical parameters, demonstrate the role the benzotriazole rings play in its structural and optical properties. The Lewis basicity of M(Tp ')2 is shown with the structural characterization of the air-stable tin(II) adduct [cis-Fe(Tp ')2-SnCl2]; tin(II) coordination does not alter the iron(II) spin state. The Tp ' chelate adds functionality (asymmetry, chirality, chemical reactivity) to the array of iron SCO materials for potential incorporation into nanoscale magnetic switches and spintronic devices.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Felix Depenbrock, Thomas Limpke, Eckhard Bill, Daniel J. SantaLucia, Maurice van Gastel, Stephan Walleck, Jan Oldengott, Anja Stammler, Hartmut Boegge, Thorsten Glaser
Summary: Peroxo complexes are crucial in water oxidation catalysis, and cobalt can exist as cobalt oxides or {Co-III(mu-1,2-peroxo)Co-III} complexes. This study presents the synthesis and characterization of {Co-III(mu-1,2-peroxo)(mu-OH)Co-III} and {Co-III(mu-OH)(2)Co-III} complexes, and reveals their catalytic activity in water oxidation.
INORGANIC CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Rehab M. Elsamra, Mamdouh S. Masoud, Ahmed M. Ramadan
Summary: In this study, five Ni(II) complexes were synthesized from sulfonamide-based Schiff bases with bromo or iodo substituents. The compounds showed high thermal stability and exhibited promising antimicrobial and cytotoxic activities. The presence of bromine isotopes in the mass spectra indicated the presence of twin molecular ion peaks. Additionally, molecular docking simulation results suggested strong binding of the compounds to the breast cancer protein.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Ahmed M. Abu-Dief, Nouf H. Alotaibi, Eida S. Al-Farraj, Hamza A. Qasem, Seraj Alzahrani, Metwally K. Mahfouz, Aly Abdou
Summary: Coordination compounds of Ag(I), Cu(II), Ni(II), Fe(III), and VO(II) ions were synthesized and their structures were investigated. The ligand formed specific structures with the ions. The structures of the compounds were optimized using density functional theory, and critical theoretical factors were calculated. Furthermore, the biological activities of the compounds were studied using molecular docking and in vitro experiments.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Inorganic & Nuclear
C. T. Gracelin Retnam, S. Viola Rose, B. Sindhu Kumari
Summary: This study synthesized and characterized complexes formed by an azo ligand and bivalent metal ions. Through a series of experiments and tests, it was found that cobalt, nickel, and manganese complexes exhibited good DNA cleavage activity and antitumor activity, with the cobalt complex showing more effective binding with the protein receptor.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Shimaa G. Hussien, Basma Ghazal, Mamdouh S. Masoud, Sanaa M. Emam, Ahmed El-Hamalawy, Saeyda A. Abouel-Enein
Summary: The azo ligand was utilized for metal-lization with different valent metal ions, and the prepared complexes were characterized and evaluated for their properties. The metal complexes exhibited higher thermal stability and antimicrobial activity, with certain complexes showing high cytotoxicity against hepatocellular carcinoma cells.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Ravi Srivastava, Martin Jakoobi, Chloe Thieuleux, Elsje Alessandra Quadrelli, Clement Camp
Summary: The rhodium complex Rh(HL)(COD)Cl, featuring a functionalized N-heterocyclic carbene ligand with an oxygen-containing pendant arm, has been used to synthesize a series of neutral and cationic Rh(i) O,C chelates. Analysis shows that the strength of the Rh-O bond is greatly affected by the nature of the O-donor, resulting in significant differences in catalytic activity. The most active catalyst, [Rh(L)(COD)]2, demonstrates good catalytic performance under mild conditions for hydrosilylation and selective remote functionalization of internal olefins.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Gehad G. Mohamed, Samir A. Ali, Hanan F. Abd El-Halim
Summary: This study synthesized a series of ternary complexes with isatin and N,N,N,N-tetramethyl ethylene diamine with metal ions including Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II). Characterization of the compounds was done using various methods, revealing some complexes with higher antimicrobial activity compared to the parent ligands.
Article
Chemistry, Organic
Xiang Wu, Li-Ping Zhao, Jin-Ming Xie, Yan-Ming Fu, Cheng-Feng Zhu, You-Gui Li
Summary: A gold-catalyzed cyclization for the synthesis of 3-sulfonamidoquinolines is described, featuring a rare and highly selective 1,2-N migration of the key alpha-imino gold carbene intermediate.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Organic
Xiang Wu, Li-Ping Zhao, Jin-Ming Xie, Yan-Ming Fu, Cheng-Feng Zhu, You-Gui Li
Summary: This study describes a gold-catalyzed cyclization reaction for the synthesis of 3-sulfonamidoquinolines, featuring a rare and highly selective 1,2-N migration. The key alpha-imino gold carbene intermediate is generated through an intramolecular nucleophilic attack of the azide group to the Au-activated triple bonds in a 6-endo-dig manner.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Anja Busemann, Ingrid Flaspohler, Xue-Quan Zhou, Claudia Schmidt, Sina K. Goetzfried, Vincent H. S. van Rixel, Ingo Ott, Maxime A. Siegler, Sylvestre Bonnet
Summary: Two analogs complexes of a known ruthenium complex were synthesized and evaluated for their photochemistry and phototoxicity, showing higher cellular uptake and cytotoxicity than the conventional complex. The compounds were found to be promising candidates for photoactivated chemotherapy due to their enhanced cellular uptake and cytotoxicity after light activation.
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Lubna Afroz, M. H. Moinuddin Khan, H. M. Vagdevi, Malathesh Pari, R. Mohammed Shafeeulla, Anees Fathima
Summary: This study investigates the combination of experimental and pharmacological studies on 3d-metal chelates of a novel ligand (HBH) bearing isatin moiety. The metal-coordinated compounds exhibited tridentate coordination and octahedral geometry. A modified cobalt(II) metal complex carbon electrode served as a reliable sensor for identifying heavy metal ions using CV and LSV methods. Additionally, the study explores the antimicrobial, antioxidant, antiobesity, and anticancer properties of the ligand and its 3d-metal complexes.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Kevin I. Y. Ketchemen, Malik Dilshad Khan, Sixberth Mlowe, Matthew P. Akerman, Inigo Vitorica-Yrezabal, George Whitehead, Linda D. Nyamen, Peter T. Ndifon, Neerish Revaprasadu, Paul O'Brien
Summary: A series of metal complexes have been synthesized and characterized, showing good thermal stability and coordination of the ligand with metal ions in a bidentate chelating mode.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Mohsen M. Mostafa, Hamed M. El-Shora, Haitham K. Elemam, Waleed H. Al-Assy
Summary: This study compared the Cu2+ chelates derived from bicine and tricine using chemical, spectral, magnetic, and crystallographic analyses. The geometries of the chelates were confirmed, and the electrostatic potential maps of the ligands were obtained. Hirshfeld analysis was also used to understand the crystal structure and backing method. The study explains the inhibitory mechanism of bicine and tricine on lipoxygenase and shows promising antitumor activity against colon carcinoma and breast cancer cells.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
