Article
Chemistry, Inorganic & Nuclear
E. A. Kravchenko, A. A. Gippius, A. V. Tkachev, A. V. Golubev, A. S. Kubasov, A. Yu Bykov, K. Yu Zhizhin, N. T. Kuznetsov
Summary: Three new salts based on perchlorinated closo-dodecaborate anion were synthesized and characterized using various techniques, with the application of 35Cl nuclear quadrupole resonance for the identification of noncovalent interactions being a notable first. The results revealed subtle perturbations in cluster electron density caused by weak noncovalent Cl...X interactions, and demonstrated the complementarity of X-ray structural information and Cl-35 NQR data.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
E. A. Kravchenko, A. A. Gippius, S. Zhurenko, A. Tkachev, V. A. Semenova, A. Golubev, A. S. Kubasov, A. Yu Bykov, G. A. Buzanov, K. Yu Zhizhin, N. T. Kuznetsov
Summary: Three salts of perchlorinated sulfonium and ammonium derivatives of tetrabuthylammonium nonachloro-closo-decaborate were synthesized and characterized using various spectroscopic methods to investigate noncovalent interactions involving chlorine atoms. A comparison with X-ray diffraction analysis was made, revealing differences in crystal lattice dynamics and Cl-35 NQR spectra among the salts.
Article
Chemistry, Physical
Yanrong Jiang, Qinqin Yuan, Wenjin Cao, Markus Rohdenburg, Marc C. Nierstenhofer, Zhipeng Li, Yan Yang, Cheng Zhong, Carsten Jenne, Jonas Warneke, Haitao Sun, Zhenrong Sun, Xue-Bin Wang
Summary: This study systematically investigates the electronic structures and intramolecular interactions of perhalogenated closo-dodecaborate dianions binding to alpha-, beta-, and gamma-cyclodextrins in the gas phase using negative ion photoelectron spectroscopy and density functional theory calculations. The experiments show that the complexes have significantly higher vertical detachment energies than the isolated dianions, with the binding dependent on the cyclodextrin size and guest halogen. The simulations, molecular orbital analyses, and energy decomposition analyses provide insights into the host-guest interactions and the factors influencing them.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Elena A. Malinina, Alexey S. Kubasov, Evgenii Yu. Matveev, Artemii I. Nichugovskii, Svetlana E. Nikiforova, Lyudmila V. Goeva, Varvara V. Avdeeva, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Summary: A systematic investigation on the reactivity of hydroxy-substituted derivative of closo-dodecaborate anion [B12H11OH]2- in silver(I) and lead(II) complexation, with the presence of various organic ligands, has been conducted. Several salts and complexes of silver(I) and lead(II) with different compositions and structures have been synthesized and characterized. X-ray diffraction analysis revealed the structures of polymeric {Ag2(bipy)2[B12H11OH]}n, binuclear [Ag2(bpa)2[μ-B12H11OH]] silver(I) complexes, dimeric binuclear lead(II) complex [Pb(bipy)2[μ-B12H11OH]]2, as well as salts CsNO3•Cs2[B12H11OH] and (Hbpa)2[B12H11OH]. The coordination of the boron cluster anion by metal atoms is achieved through the formation of three-center two-electron MHB bonds with the BH groups of the polyhedron and the involvement of the oxygen atom of the substituent in metal coordination, with co-crystallization of several bond and positional isomers observed in the structures of silver(I) complexes.
Article
Chemistry, Inorganic & Nuclear
Svetlana E. Korolenko, Alexey S. Kubasov, Lyudmila Goeva, Varvara V. Avdeeva, Elena A. Malinina, Nikolay T. Kuznetsov
Summary: The study investigated the complexation of zinc(II) and cadmium(II) with the dodecahydro-closo-dodecaborate anion in the presence of azaheterocyclic ligands, revealing significant influence of process parameters on the resulting compounds' composition and structure. The synthesis of mixed-ligand complexes using complex [Cd(DMF)(6)][B12H12] as a precursor was demonstrated, with the characterization of a novel binuclear cadmium(II) complex involving the coordinated dodecahydro-closo-dodecaborate anion through a multicenter M-H(B) bond.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Alexey S. Kubasov, Evgeniy S. Turyshev, Ivan Novikov, Olga M. Gurova, Polina A. Starodubets, Aleksei Golubev, Konstantin Yu Zhizhin, Nikolay T. Kuznetsov
Summary: In this study, the method proposed by Gabel for the preparation of mono- and di-S,S-substituted derivatives of sulfanyl-closo-dodecaborate anion was extended to derivatives of the closo-decaborate anion. The Fukui functions for the nucleophilic attack of the S-atom in different anions were calculated using the Hirshfeld approach, showing that the nucleophilicity in the [B10H9SH](2-) anion was significantly lower compared to other compounds, consistent with experimental data.
Article
Chemistry, Inorganic & Nuclear
Julia Laskova, Ivan Ananiev, Irina Kosenko, Alexander Serdyukov, Marina Stogniy, Igor Sivaev, Mikhail Grin, Andrey Semioshkin, Vladimir Bregadze
Summary: The synthesis of acetonitrilium and propionitrilium derivatives of closo-dodecaborate [B12H12](2-) was discussed. Nucleophilic addition reactions of water, alcohols, and secondary amines to the activated triple bond of the nitrilium derivatives yielded corresponding iminols, imidates, and amidines. The obtained results were supported by X-ray diffraction studies and DFT calculations.
DALTON TRANSACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Darya S. Novopashina, Mariya A. Vorobyeva, Alexander A. Lomzov, Vladimir N. Silnikov, Alya G. Venyaminova
Summary: This study synthesized novel oligonucleotide conjugates with closo-dodecaborate attached to different terminal positions of DNA, RNA, 2'-O-Me RNA, and 2'-F-Py RNA oligomers. The incorporation of boron clusters influenced the stability and double helix structure of the oligomers, with different effects observed for DNA and RNA sequences.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Yanrong Jiang, Zhubin Hu, Cheng Zhong, Yan Yang, Xue-Bin Wang, Zhenrong Sun, Haitao Sun, Zhi Liu, Peng Peng
Summary: This study explores the structural evolution of perhydroxylated closo-dodecaborate B-12(OH)(12)2- in water environment and the mechanism of water cluster formation. It reveals that each additional water molecule is locked into the intramolecular hydrogen bond B-O-H ternary ring in an embedded form. Unlike other bases, the competition during the formation of water clusters in perhydroxylated closo-dodecaborate B-12(OH)(12)2- is mainly dominated by B-(H-O) interactions. Through analysis, it is found that the largest water clusters in the first hydrated shell exhibit exceptional thermodynamic stability. These findings have significant scientific implications for designing boron cluster chemistry incorporating hydroxyl-group-modified borate salts with potential applications.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yanrong Jiang, Zhubin Hu, Cheng Zhong, Yan Yang, Xue-Bin Wang, Zhenrong Sun, Haitao Sun, Zhi Liu, Peng Peng
Summary: This study compares the structural evolution of water clusters in three different bases and reveals a new growth pattern in B-12(OH)(12)(2-) where each additional water molecule is locked into intramolecular hydrogen bonds. The analysis also demonstrates exceptional thermodynamic stability of water clusters around B-12(OH)(12)(2-).
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Mahmoud K. Al-Joumhawy, Tarek Marei, Akim Shmalko, Paula Cendoya, Jair La Borde, Detlef Gabel
Summary: The study demonstrates a microwave-assisted palladium-catalyzed amination method for iodododecaborate with aromatic amines, HN-containing heteroaromatics, and amides, allowing for efficient synthesis of amides, dodecaborate-substituted anilines, and the first-time substitution of dodecaborate with HN-containing heterocycles.
CHEMICAL COMMUNICATIONS
(2021)
Article
Crystallography
Svetlana E. Nikiforova, Nadezhda A. Khan, Alexey S. Kubasov, Yurii V. Koshchienko, Anatolii S. Burlov, Lyudmila N. Divaeva, Lyudmila V. Goeva, Varvara V. Avdeeva, Elena A. Malinina, Nikolay T. Kuznetsov
Summary: A series of Schiff base derivatives with different linker groups were synthesized and characterized. During the coordination process, ligand L-3 underwent degradation and degradation products were obtained. X-ray diffraction and Hirshfeld surface analysis were performed for structural characterization.
Article
Chemistry, Inorganic & Nuclear
A. Nelyubin, N. A. Selivanov, A. Yu Bykov, I. N. Klyukin, A. S. Kubasov, A. P. Zhdanov, K. Yu Zhizhin, N. T. Kuznetsov
Summary: Methods for direct synthesis of N-borylated amino acids have been developed, utilizing the interaction between free amino acids and nitrile derivatives of closo-decaborate and closo-dodecaborate anions. The products were characterized by multinuclear NMR spectroscopy, IR absorption spectroscopy, and ESI mass spectrometry. The structures of two products were determined by X-ray diffraction.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Aleksei Golubev, Alexey S. Kubasov, Alexander Yu Bykov, Andrey P. Zhdanov, Grigorii A. Buzanov, Alexander A. Korlyukov, Konstantin Yu Zhizhin, Nikolay T. Kuznetsov
Summary: A series of compounds based on perbrominated disubstituted sulfonium derivatives of the closo-decaborate anion were synthesized and characterized. The study revealed the effect of different alkyl groups on the intermolecular interactions, and provided valuable insights into the molecular structure and properties of these compounds.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Mariya A. Vorobyeva, Maya A. Dymova, Darya S. Novopashina, Elena Kuligina, Valentina V. Timoshenko, Iaroslav A. Kolesnikov, Sergey Yu Taskaev, Vladimir A. Richter, Alya G. Venyaminova
Summary: The study successfully demonstrated the use of a 2'-F-RNA aptamer specific to human glioblastoma cells as a boron delivery agent for BNCT, resulting in effective reduction of cell viability. This proof of principle highlights the potential of aptamers for targeted delivery of boron-10 isotopes in BNCT, paving the way for the engineering of novel BNCT agents with high specificity and low toxicity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Elena A. Malinina, Ivan I. Myshletsov, Grigorii A. Buzanov, Alexey S. Kubasov, Irina V. Kozerozhets, Lyudmila V. Goeva, Svetlana E. Nikiforova, Varvara V. Avdeeva, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Summary: Nanocrystalline cobalt monoboride was synthesized by thermal decomposition of precursors [Co(DMF)(6)][An], where [An] = [B12H12](2-) (1), [trans-B20H18](2-) (2) or [B10Cl10](2-) (3) in an argon atmosphere. Three new salt-like compounds 1-3 were obtained by the reaction of Co(NO3)(2) with (Et3NH)(2)[An]. Characterization of the annealed products 1a-3a revealed the presence of BN and CoB for 1a, a higher CoB:BN ratio for 2a with decreased crystallinity, and only CoB for 3a. TEM analysis showed that 1a and 2a had small particle sizes (10-15 nm) and a normal size distribution, while 3a had large particles (200-350 nm) with a broad distribution.
Article
Chemistry, Physical
A. A. Gippius, A. V. Tkachev, S. V. Zhurenko, A. V. Gunbin, E. I. Demikhov, C. -N. Kuo, C. -S. Lue, N. -Q. Nguyen, C. -W. Luo, V. N. Khrustalev, R. D. Svetogorov, M. S. Likhanov, A. V. Shevelkov
Summary: We conducted a detailed study on the nature of the RuGa3 in-gap states using precision microscopic methods such as nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR), and pump-probe spectroscopy. Our results showed a pronounced splitting of 69Ga nuclear spin-lattice relaxation curves below-40 K and between 70 and 145 K, with the corresponding NQR lines remaining narrow. The relaxation mechanisms exhibited phonon-induced, paramagnetic, and activation behaviors. Additionally, we discovered Ga' and Ga positions with anomalously low electric field gradient in the Gallides with an IrIn3-type structure. These findings provide insight into the inhomogeneously distributed electronic density defects and their effects on micro and macroscopic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Biochemistry & Molecular Biology
Ilya N. N. Klyukin, Anastasia V. V. Kolbunova, Alexander S. S. Novikov, Alexey V. V. Nelyubin, Andrey P. P. Zhdanov, Alexey S. S. Kubasov, Nikita A. A. Selivanov, Alexander Yu. Bykov, Konstantin Yu. Zhizhin, Nikolay T. T. Kuznetsov
Summary: A comprehensive study focused on the preparation of disubstituted carboxonium derivatives of closo-decaborate anion [2,6-B10H8O2CC6H5](-) was carried out. The proposed synthesis of the target product was based on the interaction between the anion [B10H11](-) and benzoic acid C6H5COOH. It was shown that the formation of this product proceeds stepwise through the formation of a mono-substituted product [B10H9OC(OH)C6H5](-). The structure of tetrabutylammonium salts of carboxonium derivative ((C4H9)(4)N)[2,6-B10H8O2CC6H5] was established with the help of X-ray structure analysis. The reaction pathway for the formation of [2,6-B10H8O2CC6H5](-) was investigated with the help of density functional theory (DFT) calculations.
Article
Chemistry, Inorganic & Nuclear
Ilya N. Klyukin, Anastasia V. Kolbunova, Alexander S. Novikov, Andrey P. Zhdanov, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Summary: A theoretical modelling was conducted to study the interaction process between a protonated complex of carboxonium derivative [2,6-B10H8O2CCH3*H-fac](0) and acetonitrile molecule CH3CN. As a result, a trisubstituted [B10H7O2CCH3(NCCH3)](0) derivative was formed. This reaction follows an electrophile-induced nucleophilic substitution (EINS) mechanism. The intermediates and transition states of the substitution process were identified, with the key intermediate being a dihydrogen H-2 fragment attached to one boron atom (B(H-2) structure motif). Different positions of the cluster cage were evaluated as potential pathways for the nucleophilic substitution, and it was found that substitution on the B-4 position of the cluster cage was the most energetically favorable, resulting in the formation of the [2,4,6-B10H7O2CCH3(NCCH3)](0) isomer.
Article
Chemistry, Inorganic & Nuclear
Svetlana E. E. Nikiforova, Evgeniy Y. Y. Matveev, Alexey S. S. Kubasov, Alexey V. V. Golubev, Lyudmila V. V. Goeva, Elena A. A. Malinina, Konstantin Y. Y. Zhizhin, Nikolay T. T. Kuznetsov
Summary: In this study, the experimental and theoretical foundations of the complexation process between zinc(II) and cadmium(II) with 2-hydroxido-nonahydrido-closo-decaborate(2-) anion [2-B10H9(OH)](2-) in the presence of azaheterocyclic ligands were investigated. The first examples of mixed-ligand Zn(II) and Cd(II) complexes with [2-B10H9(OH)](2-) coordinated by the metal atom were successfully isolated and characterized. The structures of these complexes were determined using single-crystal X-ray diffraction. Density functional theory calculations provided insights into the bonding nature in these complexes.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
V. V. Voinova, N. A. Selivanov, A. Yu. Bykov, A. S. Kubasov, A. P. Zhdanov, K. Yu. Zhizhin, N. T. Kuznetsov
Summary: The preparation of trisubstituted closo-decaboranes by reacting 1,2-boroxazoles with PhI(OAc)2 was studied. The process could be carried out in a one-pot variant starting from borylated iminol. The reaction products were characterized using H-1, B-11, and C-13 NMR spectroscopy, and the XRD structure of the compound [B10H7(1-IPh)(6,10-NHOCCH3)] was determined.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
A. V. Golubev, A. S. Kubasov, A. Yu. Bykov, E. Yu. Matveev, N. A. Sarkisov, I. V. Novikov, P. S. Starodubets, N. A. Romanov, K. Yu. Zhizhin, N. T. Kuznetsov
Summary: A new method for the synthesis of imidazolium salts of perchlorinated closo-decaborate anions has been proposed in this study. The crystal packings and intermolecular interactions of these compounds have been studied using X-ray diffraction and Hirshfeld surface analysis. The results showed that the anions in the crystal lattice are linked through weak Cl ··· Cl interactions.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
S. E. Nikiforova, A. S. Kubasov, O. N. Belousova, V. V. Avdeeva, E. A. Malinina, N. T. Kuznetsov
Summary: This study investigates the process of copper(I) complexation with organic ligands as luminophores, and shows different reactions and complex formation under different solvent conditions.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
A. V. Kopytin, E. S. Turyshev, M. Sh. Madraimov, A. S. Kubasov, K. Yu. Zhizhin, L. K. Shpigun, N. T. Kuznetsov
Summary: In this study, an ion-selective electrode based on a plasticized polyvinyl chloride membrane doped with tetradecylammonium octahydrotriborate was developed. The electrode showed reversible potentiometric response to octahydrotriborate anion in the presence of other inorganic anions. It can be recommended for direct potentiometric detection of free octahydrotriborate anions in technological aqueous solutions.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
A. V. Nelyubin, I. N. Klyukvin, N. A. Selivanov, A. Yu. Bykov, A. S. Kubasov, A. P. Zhdanov, K. Yu. Zhizhin, N. T. Kuznetsov
Summary: The reaction between nitrile derivatives of closo-dodecaborate anion and water produces a series of iminols. The structures of the reaction products can be controlled by adjusting the pH value of the medium.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Elena A. Malinina, Ivan I. Myshletsov, Grigorii A. Buzanov, Irina V. Kozerozhets, Nikolay P. Simonenko, Tatiana L. Simonenko, Svetlana E. Nikiforova, Varvara V. Avdeeva, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Summary: The thermal reduction of copper(II) complexes was studied at 900 degrees C in an argon atmosphere. It was found that annealing resulted in the formation of a boron-containing copper composite with copper(0) nanoparticles. Physicochemical studies confirmed the composition and electrical properties of the annealed products.
Article
Chemistry, Multidisciplinary
Alexey A. Artemjev, Alexey S. Kubasov, Maxim L. Kuznetsov, Mariya V. Grudova, Victor N. Khrustalev, Andreii S. Kritchenkov, Alexander G. Tskhovrebov
Summary: This study describes and fully characterizes novel selenodiazolium salts derived from the reaction between 2-pyridylselenyl reagents and cyanamides. Eight adducts were studied by single crystal structural analysis, which revealed the presence of four-center N-Se interactions for some of them with an estimated interaction energy of -3.9 kcal mol(-1), as revealed by theoretical calculations. The reaction mechanism between nitriles of the general formulae RC=N (R = Me, Ph, Br, CCl3, Me2N, Ph(H)N) and 2-pyridylchalcogenyl halides 2-PyChX (Ch = Se, Te; X = Cl, Br) was also investigated by theoretical methods, suggesting the asynchronous cycloaddition nature of the process.
Article
Chemistry, Inorganic & Nuclear
Angela Lis, Viorica Gladchi, Gheorghe Duca, Sergey Travin
Summary: This work presents studies on the photochemical transformations of TU and Cys with the addition of Cu(II) or Fe(III) ions. The results show that the oxidation rate of the thiols increases significantly when Cu(II) or Fe(III) ions are added to the system. It has also been found that TU and Cys can form stable complex compounds with the studied metal ions. The oxidation rates of the thiols are found to depend on the radiation intensity and emission spectrum of the irradiation sources.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Cristiane F. A. Teixeira, Estefane I. Teixeira, J. P. C. Nascimento, M. Amilcar Junior, L. M. C. Pinto, Anderson R. L. Caires, G. B. Alcantara, Ana C. Micheletti, Victor M. Deflon, Davi F. Back, Heveline Silva, Lucas Pizzuti, Gleison Antonio Casagrande
Summary: Novel binuclear heteroleptic copper(I) complexes based on mixed DPPE/thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. These complexes exhibited similar structural behavior around the Copper(I) atoms and showed promising antimicrobial and anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Chen Chen, Li Liu, Xin-Xin Zhong, Fa-Bao Li, Hai-Mei Qin
Summary: Thermally activated delayed fluorescent (TADF) Cu(I) halide complexes with short lifetimes and intense emissions were synthesized and characterized. These complexes exhibit intense green to yellow-green delayed fluorescence and are suitable for OLED devices.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Tian-Yu Zhang, Xue-Qian Wu, Heng-Yu Ruan, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: In this study, a novel Ni(II)-based metal-organic framework with good electrocatalytic oxidation performance was successfully synthesized, showing potential for direct alcohol fuel cells.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Susanta Das Baishnab, R. N. Dutta Purkayastha, Waldemar Maniukiewicz, Rosa M. Gomila, Antonio Frontera
Summary: The synthesis, structure, and DNA binding ability of three decavanadate complexes containing cationic organic moieties were reported. The complexes were characterized by various techniques and their solid-state structures were analyzed. The complexes showed interesting assembly patterns and exhibited moderately strong intercalative binding with CTDNA. Additionally, their micellization behavior in the presence of the surfactant CTAB was studied.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Jubaraj B. Baruah
Summary: Isomorphous series are generated by replacing atoms or molecules to form materials with similar compositions. They allow modulation of structure and properties, and generate equivalent compositions with novel material properties. The study of stereo-electronic aspects of different equivalent compositions can improve the utility of the original composition.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Kamelah S. Al-Rashdi, Bandar A. Babgi, Ehab M. M. Ali, Bambar Davaasuren, Abdul-Hamid M. Emwas, Mariusz Jaremko, Mark G. Humphrey, Mostafa A. Hussien
Summary: Tridentate ligands were used to synthesize a set of palladium complexes, which were characterized and found to have DNA and BSA binding abilities. The complexes also showed differences in anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Diane Isaacs, Chandler Cox, Mark A. Bezpalko, W. Scott Kassel, William G. Dougherty
Summary: The structure and electrochemical properties of zinc(II) complexes with a face-capping ligand have been investigated, revealing the effect of the ligand on bound semiquinonate (SQ) radicals. The substitution pattern of the SQ ring plays a crucial role in determining the fate of the bound SQ radicals. Additionally, the protective pocket formed by the ligand's phenyl substituents is unable to prevent decomposition of SQ radicals with minimal steric bulk, suggesting that substitution of the SQ ring is the main contributor to their stabilization.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Xingliang Chen, Zhiqiang Jiang
Summary: Here, a series of zinc tetrahedral tetrazolate frameworks (Zn-TTFs) are presented, and it is demonstrated that rotation of carboxyl group can generate structural diversity. Compound 3 exhibits a unique zeolite-like structure, while compound 4 shows both super acid and alkali resistance.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Ankita Puri, Allison Mcaninch, Sheng Shu, Khashayar Rajabimoghadam, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch
Summary: In this article, the synthesis and characterization of copper, nickel, and palladium complexes bound by bidentate ligands derived from ortho-phenylenediamine are described. The complexes contain tunable H-bond donors and their crystal structures reveal intramolecular H-bonding interactions between the ligand scaffolds. Variations in the coordination sphere led to the isolation of the complexes in square-planar or twisted pseudo-tetrahedral geometries. Structural analysis showed that intramolecular H-bonding interactions can be altered by disrupting the bonds between countercations, solvent of crystallization, and ligand scaffold, resulting in changes in the geometry of the complexes. DFT calculations confirmed that Cu complexes prefer twisted geometries while Ni and Pd complexes favor square-planar geometries.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Laiane dos Santos Oliveira, Pedro Henrique de Souza Guarda, Leticia Bazilio Rosa, Gustavo Clauss Rodrigues, Daniele Daiane Affonso, Joao Ernesto de Carvalho, Igor Andrade Santos, Mark Harris, Douglas Hideki Nakahata, Jose Ricardo Sabino, Danilo Ciccone Miguel, Ana Lucia Tasca Gois Ruiz, Ana Carolina Gomes Jardim, Camilla Abbehausen
Summary: Chalcones are chemical precursors of flavonoids that have various biological properties. In this study, novel copper(II)-2'-hydroxy-4-benzyloxychalcone complexes were synthesized and evaluated for their antileishmanial, antiproliferative, and antiviral activities. The results demonstrated that these complexes showed potential effects against tumor cells, leishmania parasites, and SARS-CoV-2 virus. The study also highlighted the influence of ligand structure on biological activity.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Archana Thakur, Harpreet Kaur, Vishal Tyagi
Summary: This review article discusses the findings of research on the 13C NMR spectra of di- and tri-butyltin carboxylates, highlighting the importance of 13C NMR chemical shifts in determining the chemical surroundings of carbon nuclei and their role in structure elucidation.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Qiang Zhao, Qi-Yang Li, Zhi Shen, Guo Zang, Wen-Jun Lv
Summary: In this study, five metal complexes were synthesized using a solvothermal reaction and their structures were analyzed by single crystal X-ray diffraction. Fluorescence and magnetic properties of some complexes were also investigated.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Jeremy Erb, Darcy Setter, Jake Swavey, Frederick Willits, Shawn Swavey
Summary: Three BODIPY-Ru(II) complexes were synthesized by coordinating [Ru(bpy)2Cl]+ complexes to BODIPY ligands. The spectroscopic and electrochemical properties of the complexes were characterized. The complexes exhibited intense absorption peaks due to the pi pi* transitions localized on the BODIPY core, and additional charge transfer transitions associated with the metal center. The complexes showed significant singlet oxygen generation and were able to induce photo-nicking of DNA.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Sahin Reja, Dilip Sarkar, Kaushik Sarkar, Deboshmita Mukherjee, T. K. S. Fayaz, Palash Sanphui, Rajesh Kumar Das
Summary: A promising bioinspired metallocatalyst has been produced and characterized, showing high catalytic activity in oxygen dependant enzymatic radical pathway. The catalyst also exhibits inter and intra molecular H-bonding and C-H-pi interactions.
INORGANICA CHIMICA ACTA
(2024)
