Article
Chemistry, Multidisciplinary
Lucas de Azevedo Santos, Teodorico C. Ramalho, Trevor A. Hamlin, F. Matthias Bickelhaupt
Summary: Quantum chemical methods were used to analyze the nature and origin of directionality in pnictogen, chalcogen, and halogen bonds in F(m)Z·F- complexes. The results show that covalent interactions, in addition to electrostatic attraction, contribute significantly to the bond energy. Interestingly, despite electrostatic interactions favoring bending, all these bonds exhibit directionality, which contradicts the sigma-hole model. These findings are applicable to various complexes, including ClI·NH3, HClTe·NH3, and H2ClSb·NH3.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Sudip Bhunia, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Summary: Two linear mixed-valence trinuclear centrosymmetric cobalt(III)-cobalt(II)-cobalt(III) complexes have been synthesized and their solid state structures have been determined by single crystal X-ray diffraction analysis. The supra-molecular assemblies observed in the solid state structures have been analyzed using DFT calculations, focusing on CH3...pi and Cl...Cl interactions.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Physical
Pichandi Mahadevi, Shanmugam Sumathi, Alka Metha, Jyoti Singh
Summary: In this study, Schiff base ligand and its metal (II) complexes were synthesized and characterized. The antimicrobial, antioxidant, and anticancer activities of these compounds were evaluated. The results showed that the synthesized complexes exhibited higher activities in terms of antimicrobial, antioxidant, and anticancer properties.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Ji-qiu Zhang, Yu-Hao Wang, Shu-jing Zhang, Yang-qian Lin, Qing-qing Guan, Xi-meng Xu
Summary: In this work, a highly crystalline layered covalent organic framework (COF) material (TbBpy) was synthesized and used as a support for ultrasmall Pd nanoparticles in acetylene hydrogenation. The results showed that the introduction of COFs improved the dispersibility and stability of Pd particles, enhanced the adsorption and electron transfer process, and achieved high selectivity and activity of the catalyst. This study reported the excellent performance of Pd@TbBpy as a catalyst for acetylene hydrogenation, which will promote the development and application of COFs materials in the petrochemical industry.
Article
Chemistry, Analytical
Jie-Yu Yue, Li-Ping Song, Ying-Hao Shi, Li Zhang, Zi-Xian Pan, Peng Yang, Yu Ma, Bo Tang
Summary: A chiral ionic covalent organic framework (COF) fluorescent sensor was developed for the recognition of the stereochemical configuration of phenylalaninol (PAL). The COF showed a turn-on fluorescent response for R-PAL over S-PAL, with an enantioselectivity factor of 16.96. The chiral selectivity was attributed to the stronger binding affinity between the COF and R-PAL compared to S-PAL. This study expands the applications of ionic COFs and provides new insights into the development of novel chiral fluorescent sensors.
ANALYTICAL CHEMISTRY
(2023)
Article
Crystallography
Diego Ramirez-Contreras, Amalia Garcia-Garcia, Brenda L. Sanchez-Gaytan, Laura E. Serrano-de la Rosa, Francisco J. Melendez, Duane Choquesillo-Lazarte, Antonio Rodriguez-Dieguez, Maria Eugenia Castro, Enrique Gonzalez-Vergara
Summary: Citrulline is a non-protein amino acid found in watermelon. Researchers synthesized and characterized a copper bis-citrullinato complex and found its polymeric nature and insolubility make it unsuitable for potential anticancer chemicals. However, the facile synthesis of D-Citrulline could open up new applications for this interesting amino acid.
Article
Chemistry, Analytical
Ching-Bin Ke, Ru-Yu Yan, Jian-Lian Chen, Te-Ling Lu
Summary: Diltiazem was successfully imprinting in COFs with optimized conditions, resulting in improved properties such as larger surface area, higher selectivity, and greater adsorption capacity. The DICOF exhibited a higher sensitivity for detecting diltiazem and showed potential for wastewater treatment due to its efficient adsorption and recovery capabilities.
ANALYTICA CHIMICA ACTA
(2021)
Article
Materials Science, Multidisciplinary
Parvati Marandi, Khalid Naim, Kaushik Parida, Prakash P. Neelakandan
Summary: Despite the advances in understanding flexibility in organic single crystals and their defect-free packing, they are rarely used in electronic devices. This study reports on the modulation of mechanical flexibility and fluorescence of pyrene-functionalized naphthalidenimine single crystals in response to chemical stimuli. Crystallographic investigations reveal that subtle changes in weak intermolecular interactions play a crucial role in defining the mechanical flexibility of these crystals. Furthermore, the multi-stimuli responsive properties of these single crystals are used to build a multiple-input, multiple-output molecular logic gate.
ACS MATERIALS LETTERS
(2022)
Article
Spectroscopy
Yugao Xu, Tingting Yang, Tao Lu, Gang Feng
Summary: The conformational equilibria of cyclohexyl isothiocyanate and its complex with water were investigated by microwave spectroscopy and theoretical calculations. The rotational spectra of the two conformers of the bare cyclohexyl isothiocyanate, a-trans and e-trans, were measured and analyzed, as well as their isotopologues. For the binary complex with water, the rotational spectra of the monohydrates of both a-trans and e-trans were measured, and water isotopologues were also observed. The noncovalent bonding features of the monohydrates were examined using natural bond orbital analysis and symmetry-adapted perturbation theory analysis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Applied
Dina A. Tolan, Tahani Kashar, Kazunari Yoshizawa, Ahmed M. El-Nahas
Summary: A novel hydrazide-hydrazone ligand derived from isonicotinic acid was synthesized and seven mononuclear complexes with Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) were prepared and characterized. DFT studies were conducted to investigate the structures of the ligand and its complexes. The antimicrobial activities of the ligand and its complexes were compared, with the Hg(II) complex showing the best antibacterial and antifungal activity among all tested complexes.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Polymer Science
Tzu-Ling Yang, Jhu-You Chen, Shiao-Wei Kuo, Chen-Tsyr Lo, Ahmed F. M. El-Mahdy
Summary: In this research, two novel hydroxy-functionalized COFs were synthesized through Schiff-base polycondensations. These COFs exhibited high surface areas and excellent stability, making them suitable electrode materials for supercapacitor applications.
Article
Chemistry, Inorganic & Nuclear
Snehasish Thakur, Wahedur Sk, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Summary: This manuscript reports the synthesis and X-ray characterization of a new decavanadate complex, [H2L1]2[HL2]2[V10O28]. H-bonding interactions between the anion's oxygen atoms and ligands' ammonium groups are selectively formed, and CH...O interactions are established between the counter ions. DFT calculations were used to rationalize the interactions and show that CH...O contacts contribute to almost 40% of the interaction energies. Additionally, the H-bond acceptor ability of the different O atoms in [V10O28]6- anion was studied using MEP surface calculations, which is unprecedented.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Physical
B. S. Chethan, H. R. Rajegowda, D. V. Padmaja, N. K. Lokanath
Summary: In this study, a Schiff base ligand (L) and its palladium(II) complex [Pd(L)Cl] were synthesized and characterized. The crystal structure analysis revealed a distorted square-planar geometry with the palladium atom coordinated to two oxygen atoms and one chlorine atom in the equatorial position, forming five and six-membered chelate rings. The study also investigated the intermolecular interactions and electronic properties of the complex using density functional theory calculations and natural bond orbital analysis.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Energy & Fuels
H. Shanavaz, B. P. Prasanna, S. Archana, M. K. Prashanth, Fahad A. Alharthi, Rui Zhou, M. S. Raghu, Byong-Hun Jeon, K. Yogesh
Summary: Covalent organic frameworks (COFs) are important materials in energy storage systems due to their uniform porosity and versatile functionality. This study focuses on the fabrication and characterization of a triazine-based COF and its decoration with Niobium to form Nb@COF. The results show successful doping of Nb into the COF and improved electrochemical performance in Nb@COF. The stability, specific capacitance, and reliability of Nb@COF indicate its potential application in energy storage devices.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Materials Science, Multidisciplinary
Chokalingam Saravanan, Bosco Christin Maria Arputham Ashwin, Shanmugasundaram Manoj, Marimuthu Senthilkumaran, Venkatesan Sethuraman, Pamula Balaji Bhargav, Perumalsamy Ramasamy, Paulpandian Muthu Mareeswaran
Summary: Schiff base polymers COP-1 and COP-2 with different structures were synthesized and characterized. COP-2 exhibited higher capacitance performance due to its higher nitrogen content. Both polymers showed good thermal stability and cyclic stability.
Article
Chemistry, Multidisciplinary
Rabi Sankar Sarkar, Animesh Biswas, Partha Pratim Ray, Rosa M. Gomila, Michael G. B. Drew, Snehasis Banerjee, Antonio Frontera, Shouvik Chattopadhyay
Summary: Two new dinuclear cobalt(ii) complexes were synthesized using multidentate N,O-donor ligands with two pockets. The complexes were characterized by single crystal X-ray diffraction and spectral analysis. The noncovalent interactions were analyzed using density functional theory (DFT) calculations. The optical properties of the complexes, focusing on the band gaps, were also studied. Both complexes were used for the fabrication of semiconducting Schottky devices.
Article
Crystallography
Trishnajyoti Baishya, Rosa M. Gomila, Miquel Barcelo-Oliver, Diego M. Gil, Manjit K. Bhattacharyya, Antonio Frontera
Summary: Two new Ni(II) and Co(II) coordination compounds were synthesized and characterized. Compound 1 is a co-crystal hydrate of Ni(II), while compound 2 is a mononuclear compound of Co(II). The crystal structure analysis revealed various non-covalent interactions, such as anion-pi, pi-pi, C-H···π, C-H···C, which stabilize the compound. The theoretical calculations confirmed the importance of H-bonding interactions and n-stacking contacts in the solid-state stability of compound 1.
Article
Crystallography
Sergi Burguera, Rosa M. M. Gomila, Antonio Bauza, Antonio Frontera
Summary: This study highlights the importance of technetium derivatives in various oxidation states (+7, +6, +5, and +3) for the first time, where copper elements act as electron acceptors. The structure directing role of these derivatives, including anion-anion interactions, is demonstrated using the Cambridge Structural Database (CSD) and density functional theory (DFT) calculations. The study also provides further characterization of the derivatives using Molecular Electrostatic Potential (MEP) surface calculations, Quantum Theory of Atoms in Molecules (QTAIM), and Natural Bond Orbital (NBO) analyses.
Article
Chemistry, Physical
Dhrubajyoti Majumdar, Sourav Roy, A. Frontera, Rosa M. Gomila, Tapan K. Pal
Summary: A new 1D coordination polymer (CP) [(SCN)Cd(L-1)Pb(NCS)](n) (1) was synthesized and structurally characterized using various analytical instruments. The complex exhibits intriguing interactions and supramolecular features. It shows high fluorescence sensitivity and selectivity towards the organo-toxin trinitrophenol (TNP), making it a potential sensor for detecting TNP in aqueous medium.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Rafael Barbas, Lidia Bofill, Vineet Kumar, Rafel Prohens, Antonio Frontera
Summary: The crystal structure of the natural dietary compound pterostilbene and phenanthroline cocrystal is reported. The cocrystal forms various supramolecular synthons through H-bonding and C-H···π interactions, with a focus on the parallel face-to-face stacking of the phenanthroline rings, which is a rare feature. Cooperativity effects between H-bonding and aromatic interactions were studied to understand the formation of this unique π-stacking mode.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Philipp Royla, Kai Schwedtmann, Zeyu Han, Jannis Fidelius, Derek P. Gates, Rosa M. Gomila, Antonio Frontera, Jan J. Weigand
Summary: Cationic imidazoliumyl(phosphonio)-phosphanides were obtained via the nucleophilic fragmentation of tetracationic tetraphosphetane with tertiary phosphanes. They can act as [LC-P]+ transfer reagents in phospha-Wittig-type reactions, yielding cationic phosphaalkenes and phosphanides. The versatility of [LC-P]+ as a valuable P1 building block was demonstrated in substitution reactions, providing a convenient access to difficult-to-synthesize compounds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Sergi Burguera, Antonio Frontera, Antonio Bauza
Summary: In this study, the effects of substituents on silicon tetrel bonding (TtB) complexes were investigated using theoretical calculations. The electronic nature of substituents in both donor and acceptor moieties was found to influence the interaction energy. Different tetrafluorophenyl silane derivatives with various electron donating and electron withdrawing groups were used, along with hydrogen cyanide derivatives as electron donor molecules. The results showed good regression plots between interaction energies and Hammett's sigma parameter.
Article
Chemistry, Medicinal
Francisco Javier Acebedo-Martinez, Carolina Alarcon-Payer, Cristobal Verdugo-Escamilla, Jesus Martin, Antonio Frontera, Alicia Dominguez-Martin, Jaime Gomez-Morales, Duane Choquesillo-Lazarte
Summary: Pharmaceutical multicomponent solids effectively modulate the physicochemical properties of active pharmaceutical ingredients. Polyphenols, with their wide safety profile and antioxidant properties, are interesting coformers for designing pharmaceutical cocrystals. Mechanochemical synthesis was used to obtain novel 6-propyl-2-thiouracil multicomponent solids, which were fully characterized using X-ray diffraction methods. Computational methods were also employed to analyze the supramolecular organization, revealing a robust structure influenced by the different positions of the hydroxyl groups in the polyphenolic coformers. These cocrystals show enhanced solubility but limited thermodynamic stability in aqueous media, lasting only 24 hours.
Article
Chemistry, Inorganic & Nuclear
Puspendu Middya, Mainak Karmakar, Antonio Frontera, Shouvik Chattopadhyay
Summary: In this research, the synthesis of two new zinc(II) complexes was reported and characterized through elemental and spectral analyses. The structures were confirmed using single crystal X-ray diffraction analysis. The complexes formed 1D supramolecular assemblies with pseudohalides acting as multiple H-bond acceptors. Theoretical analysis and DFT calculations were conducted, and the importance of long-range van der Waals interactions was emphasized. This manuscript is expected to attract the attention of synthetic inorganic chemists, as well as theoreticians and chemists working in crystal engineering and supramolecular chemistry.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Ismayil M. Garazade, Atash V. Gurbanov, Rosa M. Gomila, Antonio Frontera, Ana V. M. Nunes, Kamran T. Mahmudov, Armando J. L. Pombeiro
Summary: The study investigates the role of noncovalent interactions (spodium, halogen and hydrogen bonds) in the reaction of [Zn{NH=C(CCl3)NC(CCl3)=NH}(2)] with acetone, pyrazole, 4,4'-bipyridine and Cu(acetylacetonate)2. Different types of organic, coordination, and supramolecular compounds were obtained depending on the reactants, revealing various types of noncovalent interactions.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Guillermo Romo-Islas, Rosa M. Gomila, Antonio Frontera, Laura Rodriguez
Summary: Four series of Pt(ii) tweezer compounds were designed and synthesized to investigate their ability to form luminescent supramolecular assemblies. The compounds have a general chemical structure of (diphos)Pt(N<^>N<^>N), where diphos is a diphosphane that imparts a tweezer structure to the complexes. The four series differ in the substituents of the N<^>N<^>N ligands, which affect their electronic and bulk properties. Spectroscopic analysis and DFT calculations revealed the presence of intra- and intermolecular Pt•••Pt, Pt•••π, and π•••π interactions, leading to aggregates with varying stabilities. The aggregation process was analyzed in both solution and solid state, showing that emission properties are influenced by aggregation, as demonstrated by enhanced phosphorescence emission in the absence of chloride substituents.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Matvey K. Shurikov, Evgeny V. Tretyakov, Pavel V. Petunin, Darya E. Votkina, Galina V. Romanenko, Artem S. Bogomyakov, Sergi Burguera, Antonio Frontera, Vadim Yu. Kukushkin, Pavel S. Postnikov
Summary: Novel nitronyl nitroxides were synthesized by condensation of appropriate aldehydes with 2,3-bis(hydroxylamino)-2,3-dimethylbutane followed by oxidative treatment. The crystal and molecular structures of the obtained paramagnets were studied and revealed the assembly of radicals into zigzag chains linked by intermolecular halogen bonding. Magnetic analyses showed weak coupling of radicals in both nitronyl nitroxides, with the 3-iodoethynyl isomer exhibiting antiferromagnetic spin-spin interactions and stronger coupling compared to the ferromagnetic exchange interaction in the 4-iodoethynyl derivative. DFT calculations and various analyses were used to evaluate and characterize the observed halogen bonding interactions in the solid state.
Article
Chemistry, Inorganic & Nuclear
Simone Ghinato, Alessia Giordana, Eliano Diana, Rosa M. Gomila, Emanuele Priola, Antonio Frontera
Summary: This manuscript reports the synthesis and X-ray characterization of two cyanidoaurate telluronium salts, and investigates the chalcogen bonds using DFT calculations. The results show that the tellurium atom can establish directional interactions with adjacent anions through chalcogen bonds. Significant charge transfer from the N-atom to the anti-bonding orbital of the cation is also observed in some cases.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Rafel Prohens, Rafael Barbas, Beatriz G. de la Torre, Fernando Albericio, Antonio Frontera
Summary: This article reports on the crystal structure and properties of Oxyma-B, an important racemization suppressor for peptide synthesis. Through a combination of experimental and computational methods, the solid-state landscape and hydration tendency of this substance have been revealed.
Article
Chemistry, Multidisciplinary
Cuong Dat Do, David Pal, Andrey Belyaev, Marion Pupier, Anniina Kiesilae, Elina Kalenius, Bartomeu Galmes, Antonio Frontera, Amalia Poblador-Bahamonde, Fabien B. L. Cougnon
Summary: This study investigates the complex conformational change of a doubly-interlocked catenane upon addition of sulfate, revealing a highly cooperative binding of two sulfate anions through multiple hydrogen bonds and electrostatic interactions.
CHEMICAL COMMUNICATIONS
(2023)
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)
