Article
Mathematics, Applied
Metin Gurses, Asli Pekcan
Summary: This study addressed the challenge of the nonexistence of Hirota formulation for AKNS(N) hierarchy for N >= 3 in (2 + 1) dimensions. The researchers overcame this difficulty for N = 3, 4 and obtained Hirota bilinear forms for these members. They explored local and nonlocal reductions of the equations and derived new integrable equations in (2 + 1) dimensions.
COMMUNICATIONS IN NONLINEAR SCIENCE AND NUMERICAL SIMULATION
(2021)
Article
Chemistry, Inorganic & Nuclear
Mark R. Bortolus, Griffin J. LaChapelle, Helene P. A. Mercier, Jamie Haner, Gary J. Schrobilgen
Summary: Xenon difluoride and [BrO2]-[PnF(6)] (Pn = As, Sb) react to form Br-(V) coordination complexes, which are characterized by X-ray diffraction and Raman spectroscopy. Secondary Br---F bonds between Br-(V) and XeF2, [PnF(6)](-) are formed through sigma-hole interactions and avoid the stereoactive valence electron lone-pair of Br-(V). The synthesis and structural characterization of the first XeF2 coordination complexes of [BrO2](+) cation are described. The coordination chemistry of Br-(V) is extended and rare examples of a noble-gas difluoride coordinated to a strong oxidant main-group Lewis acid center are provided.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Janelle Bykowski, Douglas Turnbull, Nolan Hahn, Rene T. Boere, Stacey D. Wetmore, Michael Gerken
Summary: Lewis acid-base adducts MoF5(NC5H5)(n) and MoOF4(NC5H5)n were synthesized and characterized, with X-ray crystallography, Raman spectroscopy, multinuclear NMR spectroscopy, and EPR spectroscopy used to analyze their structural and property differences. The study elucidated the distinctive bonding and structural properties of the adducts, highlighting the fundamental differences in Lewis acid behavior between MoF5 and MoOF4.
INORGANIC CHEMISTRY
(2021)
Article
Spectroscopy
Abdul G. Al Lafi, Jamal Al Abdullah, Yusr Amin, Yara Aljbai, Hussam Allham, Asmhan Obiad
Summary: Fourier Transform Infra-Red (FTIR) spectroscopy is an important technique for understanding the structure of adsorbents and designing improved ion exchange materials. This study investigates the adsorption mechanism of U(VI)/Th(IV) and Ra(II)/Ba(II) radionuclide couples on polystyrene nano manganese dioxide (PS-NMO) composite, focusing on the effect of working solution pH. The results show that the separation of U(VI)/Th(IV) and Ra(II)/Ba(II) couples can be effectively achieved at specific pH values, and the pH also affects the structure of the composite adsorbent. FTIR spectroscopy reveals the formation of different complexes and changes in the composite structure in response to metal ions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Jin Kyu Kim, Kang Min Ok
Summary: A series of Dion-Jacobson type perovskites, RbEu2-xBixTi2NbO10 (0 <= x <= 2), have been synthesized by solid-state reactions. The materials crystallize in either noncentrosymmetric orthorhombic or centrosymmetric tetragonal space groups, depending on the cation composition. The change in centricity from noncentrosymmetric to centrosymmetric occurs when Eu3+ cations occupy more than 30% of the A-site positions. The solid-solution behavior and second-harmonic generation response of the materials are explained by detailed structural analyses and dipole moment calculations.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Yuan-Zheng Cheng, Lu-Lu Lv, Lu-Lin Zhang, Ying Tang, Li-Ping Zhang
Summary: Three new metal complexes were synthesized and their structures characterized. The complexes were found to interact with DNA through intercalative mode and exhibit antiproliferative activities on tumor cells. Additionally, the complexes induced apoptosis in HepG-2 cells.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Othman Alajrawy, Ayad A. Almhmdi
Summary: In this study, two dioxomolybdenum(VI) complexes and two oxomolybdenum(IV) complexes were synthesized and characterized. The structures and properties of these complexes were determined using spectroscopic techniques and theoretical calculations. The results showed that the dioxomolybdenum(VI) complexes were diamagnetic while the oxomolybdenum(IV) complexes were paramagnetic, and both of them had distorted structures.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Organic
Pei-Pei Xu, Jun-Yi Liao, Jia-Jie Zhang, Wei-Min Shi, Cui Liang, Gui-Fa Su, Dong-Liang Mo
Summary: Various N-vinylindoles and N-vinylpyrroles were synthesized in moderate to good yields through nickel(II)-catalyzed [3 + 2] cycloaddition. A rational mechanism for the formation of N-vinylindoles was proposed based on labeled experiments and key intermediates detected by mass spectrometry. The method highlights nickel(II)-controlled cyclization, atom-economical reaction, broad substrate scope, good functional group tolerance, and high Z-stereoselectivity.
Article
Chemistry, Physical
Rong Shen, Jiayi Xu, Xiang Yao, Zilong Guo, Wensheng Yang, Xiaonan Ma
Summary: In this study, the exciton-phonon coupling in 2D and quasi-2D metal halide perovskite thin films was analyzed using temperature-dependent photoluminescence spectroscopy, revealing a layer thickness dependent coupling of free excitons with phonons. The findings provide a systematic understanding of how the optoelectronic performance of devices made of Ruddlesden-Popper perovskite thin films can be improved.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Tirtha Bhattacharjee, Suman Adhikari, Afzal Hussain Sheikh, Ghodrat Mahmoudi, Sixberth Mlowe, Matthew P. Akerman, Nurul Alam Choudhury, Surajit Chakraborty, Raymond J. Butcher, Alan R. Kennedy, Burcu Saygideger Demir, Aylin oers, Yasemin Saygideger
Summary: This work presents the synthesis and characterization of a Schiff-base ligand and its chelate with a Ni(II) salt. The solid state structures and non-covalent interactions were studied using spectral techniques, density functional theory, and surface analysis. Additionally, the anticancer activity of the compound was investigated.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Wenyao Zhang, Wenqi Jin, Meng Cheng, Ruonan Zhang, Zhihua Yang, Shilie Pan
Summary: Fluorine-containing compounds enhance inorganic chemical structure diversity. Four alkaline-earth metal difluorophosphates were synthesized with different space groups, showcasing diverse crystal structures and optical anisotropy due to variations in cation radius. The presence of covalent P-F bonds was confirmed using NMR spectroscopy, and the birefringence values differed among the four compounds.
DALTON TRANSACTIONS
(2021)
Article
Physics, Fluids & Plasmas
S. Palacek, M. Beseda, R. Kalus, M. Benhenni, F. X. Gadea, T. Leininger, M. Yousfi
Summary: A detailed modeling of N-2(+) transport properties in helium gas has been performed based on ab initio collision cross-sections. The study considers a broad range of reduced electric field to provide directly usable data for macroscopic modeling of processes in cold helium plasmas. Various parameters such as N-2(+) mobility, diffusion energies, and dissociation rate constant have been calculated, taking into account the effects of rotational-vibrational excitation and rotational alignment of the N-2(+) molecule. Experimental data and pseudo-experimental data obtained via an inverse-method approach are used for comparison and validation of the theoretical estimates of diffusion energies.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Physical
Lucky Dey, Saswata Rabi, Debashis Palit, Saroj K. S. Hazari, Zinnat A. Begum, Ismail M. M. Rahman, Tapashi G. Roy
Summary: The study involved the synthesis and characterization of a series of ligands and metal complexes using various chemical methods. The antibacterial and antifungal activities of these compounds were evaluated on gram-positive and gram-negative bacteria as well as different fungi through experiments.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Polymer Science
Michael R. Martinez, Ferdinando De Luca Bossa, Mateusz Olszewski, Krzysztof Matyjaszewski
Summary: In this study, a poly(n-butyl methacrylate) macroinitiator was depolymerized, and high concentrations of monomer were successfully recovered. This method achieved selective monomer recovery through rotary distillation, while also discovering the possibility of alkyl halide decomposition leading to reduced initiation efficiency and increased thermal stability of the polymer.
Article
Polymer Science
Michael R. Martinez, Ferdinando De Luca Bossa, Mateusz Olszewski, Krzysztof Matyjaszewski
Summary: This study demonstrates a new method for efficient depolymerization of a poly(n-butyl methacrylate) macroinitiator at high temperature, achieving high monomer recovery rates and selectivity. Incubation of the macroinitiators led to evidence of alkyl halide decomposition, affecting the initiation efficiencies and thermal stability of the polymer.
Article
Chemistry, Inorganic & Nuclear
Susanta Hazra, Luisa M. D. R. S. Martins, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
INORGANICA CHIMICA ACTA
(2017)
Article
Chemistry, Inorganic & Nuclear
Atash Gurbanov, Susanta Hazra, Abel M. Maharramov, Fedor Zubkov, Firudin Guseinov, Armando J. L. Pombeiro
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Susanta Hazra, Nuno M. R. Martins, Kamran Mahmudov, Fedor I. Zubkov, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Anirban Karmakar, Susanta Hazra, Guilherme M. D. M. Rubio, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
NEW JOURNAL OF CHEMISTRY
(2018)
Review
Chemistry, Inorganic & Nuclear
Susanta Hazra, Sasankasekhar Mohanta
COORDINATION CHEMISTRY REVIEWS
(2019)
Review
Chemistry, Inorganic & Nuclear
Anup Paul, Susanta Hazra, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Susanta Hazra, Cyril Rajnak, Jan Titis, M. Fatima C. Guedes da Silva, Roman Boca, Armando J. L. Pombeiro
Summary: The reaction of Schiff base N,N'-ethylene bis(salicylaldimine), CoCl2·6H2O, and [Ph2SnCl2] in acetone produces a mixed valence compound. The structural features of the resulting organometallic systems are dependent on the solvent used. Compound 1 exhibits slow magnetic relaxation behavior and is classified as a single molecule magnet.
Article
Chemistry, Inorganic & Nuclear
Susanta Hazra, Anirban Karmakar, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: The self-assembly reaction of the Schiffbase with CoCl2 and [SnPh2Cl2] produced two alkoxo-bridged heteroorganometallic complexes, which were characterized by single crystal X-ray diffraction analyses. These complexes exhibited high catalytic activity in the solvent-free cyanosilylation reaction, showing promising potential for practical applications.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2021)
Review
Chemistry, Inorganic & Nuclear
Anirban Karmakar, Susanta Hazra, Armando J. L. Pombeiro
Summary: Coordination polymers (CPs) and metal-organic frameworks (MOFs) constructed by self-assembly of metal ions and multidentate organic linkers have shown significant potential in diverse applications such as gas adsorption and separation, catalysis, and sensing. The tunability of functional organic ligands is crucial for the design of CPs/MOFs, and the incorporation of urea and thiourea groups has attracted considerable attention due to their conformational flexibility and strong hydrogen bonding capabilities. This review summarizes the recent developments in urea and thiourea functionalized frameworks, discussing their synthesis, structure, and applications in gas adsorption and separation, catalysis, and sensing.
COORDINATION CHEMISTRY REVIEWS
(2022)
Review
Chemistry, Inorganic & Nuclear
Mahmoud Nasrollahzadeh, Mohaddeseh Sajjadi, Hossein Ghafuri, Nayyereh Sadat Soheili Bidgoli, Armando J. L. Pombeiro, Susanta Hazra
Summary: Research on tetrazoles and their complexes has been significantly increasing in the current century due to their exceptional properties and widespread applications in coordination chemistry, medicinal/biological, and materials sciences. There is a prospect for tetrazoles to play a main role in functional compounds.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Multidisciplinary
Susanta Hazra, Maxim L. Kuznetsov, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: The crystal structures and theoretical calculations of ion pairs of two types of heterometallic complex salts synthesized from the self-assembly reaction of Schiff bases with a mixture of metal salts were investigated. The results reveal the formation of heterometallic cations through this process.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Organic
Susanta Hazra, Anirban Karmakar
Summary: The reaction between 3-aminobenzenesulfonic acid and Cu(NO3)(2)& BULL;2.5H(2)O in H2O/DMF solution produces a new copper(II) complex. The crystal structure analysis reveals that the complex has a distorted octahedral geometry. Comparison with a known copper(II) complex shows that they have the same empirical formula and coordinated solvents, but different structures.
Article
Chemistry, Inorganic & Nuclear
Susanta Hazra, Bruno G. M. Rocha, M. Fatima C. Guedes da Silva, Anirban Karmakar, Armando J. L. Pombeiro
Article
Chemistry, Inorganic & Nuclear
Susanta Hazra, Nuno M. R. Martins, Maxim L. Kuznetsov, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
DALTON TRANSACTIONS
(2017)
Article
Chemistry, Multidisciplinary
Susanta Hazra, Maxim L. Kuznetsov, M. Fatima C. Guedes da Silva, Armando J. L. Pombeiro
Summary: This study investigated the crystal structures and interactions of ion pairs in two types of heterometallic complex salts synthesized from different compounds, and indicated the influence of metal ions and halide acceptor on the interaction patterns.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Abu Talha Aqueel Ahmed, Sankar Sekar, Shubhangi S. Khadtare, Nurul Taufiqu Rochman, Bathula Chinna, Abu Saad Ansari
Summary: In this study, MnCo2S4 nanosheet catalyst was successfully synthesized and found to exhibit superior performance in hydrogen evolution. Compared to MnCo2S4, MnCo2S4 showed low overpotentials, moderate Tafel slope, and excellent sustainability. The outstanding performance can be attributed to the increased number of electrochemically active sites and enhanced electronic conductivity on the catalyst surface.
Article
Chemistry, Multidisciplinary
Victor V. Maltsev, Elena A. Volkova, Elizaveta V. Koporulina, Diana D. Mitina, Vladimir L. Kosorukov, Anna I. Jiliaeva, Daniil A. Naprasnikov, Konstantin N. Gorbachenya, Viktor E. Kisel
Summary: The phase relationships, crystal properties and luminescence kinetics of two complex systems were studied, including unit cell parameters, segregation coefficients of impurities, and lifetimes of energy levels.
Article
Chemistry, Multidisciplinary
Xiaoman Zhang, Wangwang Xu, W. J. Meng, Andrew C. Meng
Summary: This study successfully grew high-quality single crystal AlScN nanowires through ultra-high vacuum reactive sputtering technique and characterized their structure and properties. The nanowires exhibit significantly reduced mosaic spread and predominantly single ferroelectric domains, as well as a high piezoelectric constant.
Article
Chemistry, Multidisciplinary
Tom E. de Vries, Elias Vlieg, Rene de Gelder
Summary: Networks are important for describing relationships between people, roads between cities, reactions between chemicals, and other interactions. Bipartiteness, dividing the network into two groups, can facilitate the study of the network's structure. We have developed an algorithm that can find a near-optimal bipartisation within a reasonable time frame and used it to uncover the hidden structure of the CSD cocrystal network.
Article
Chemistry, Multidisciplinary
Chuchu Han, Jing Yang, Xin Zhang, Aisen Li, Jiang Peng
Summary: An elastic crystal based on a photo-reactive acylhydrazone derivative is reported, which exhibits reversible bending behavior under UV irradiation and heating. The crystal undergoes reversible E<->Z isomerization under light and heating conditions. The crystal demonstrates excellent elastic properties and the bending can be controlled to control the output direction of red light.
Article
Chemistry, Multidisciplinary
Lingfeng Zhang, Yu Wang, Yefeng Wang, Shuai Liu, Na Zhang, Mingmin Yang, Haixia Ma, Zhaoqi Guo
Summary: This study designs and synthesizes a series of high-energy salts compounds without heavy metal ions and azide groups. The molecular structures and stability of the compounds are confirmed through single-crystal X-ray diffraction and intermolecular interaction analysis. Furthermore, the thermal stability, energetic properties, and electrical initiation properties of the compounds are investigated, suggesting their potential as primary explosives.