Article
Biochemistry & Molecular Biology
Alexandra T. Shulyak, Evgeniy O. Bortnikov, Nikita A. Selivanov, Mikhail S. Grigoriev, Alexey S. Kubasov, Andrey P. Zhdanov, Alexander Y. Bykov, Konstantin Y. Zhizhin, Nikolai T. Kuznetsov
Summary: This study investigates the interaction between the octahydrotriborate anion and various nucleophiles in the presence of different Lewis acids. It obtains several substituted derivatives of the octahydrotriborate anion and finds that the use of specific Lewis acids leads to higher product yields. The formation of an intermediate is detected by NMR spectroscopy.
Article
Chemistry, Multidisciplinary
Yi Jing, Xinghua Wang, Hui Han, Xin-Ran Liu, Xing-Chao Yu, Xi-Meng Chen, Donghui Wei, Lai-Sheng Wang, Xuenian Chen
Summary: This study reports highly selective and efficient synthetic methods for the salts of B11H14- and B12H122- anions using commercially available and inexpensive starting materials. Through theoretical and experimental investigations, the researchers elucidated the nature of the B-H bond condensation and the general formation mechanisms of polyhedral boranes. This finding not only provides more effective synthetic methods for polyhedral boranes, but also facilitates their wide application.
SCIENCE CHINA-CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Evgeniya A. Trifonova, Nikita M. Ankudinov, Denis A. Chusov, Yulia Nelyubina, Dmitry S. Perekalin
Summary: This study successfully eliminates a common problematic step in the synthesis of chiral catalysts by using a specific ligand.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Ibon Alkorta, Anthony Legon
Summary: In this study, the nucleophilicities of methane, ethane, cyclopropane, ethyne, and ethene acting as Lewis bases were determined through experimental and computational methods. The inductive effect of the methyl group when ethyne is methylated was also investigated.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
M. S. Andersson, J. B. Grinderslev, X-M Chen, X. Chen, U. Haussermann, W. Zhou, T. R. Jensen, M. Karlsson, T. J. Udovic
Summary: The study on the structure and reorientational dynamics of KB3H8 revealed a previously unknown polymorph between the alpha'- and beta-polymorphs, as well as different reorientational motions of the [B3H8](-) anion in the three polymorphs. The results also indicated that the high reorientational mobility of the [B3H8](-) anion contributes to the increased K+ cation conductivity observed, highlighting the importance of anion dynamics in influencing the overall conductivity of the material.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
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, Multidisciplinary
Roberta Beccaria, Arun Dhaka, Miriam Calabrese, Andrea Pizzi, Antonio Frontera, Giuseppe Resnati
Summary: H-selenite anions can form unique anionic supramolecular chains via chalcogen bonds and hydrogen bonds. These chains have a Janus-type character, acting as both donors and acceptors, and may form stable dimers in solution. The chalcogen bonds demonstrated high effectiveness in crystal engineering.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Pharmacology & Pharmacy
Maria Evers, Amelie Mattusch, Dominik Weis, Edwin Garcia, Sergiy Antonyuk, Markus Thommes
Summary: By rounding granules of various diameters simultaneously in a spheronizer, this research investigated mass transfer between smaller and larger granules during the extrusion-spheronization process. It was found that small granules increase in size, while large granules either maintain their size or slightly decrease, resulting in a particularly narrow monomodal size distribution.
EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS
(2021)
Article
Multidisciplinary Sciences
Peter J. Sempsrott, Brian B. Trinh, Charity Flener Lovitt, Nicolas E. Capra, Gregory S. Girolami
Summary: By studying the structure of methane bound to a transition metal compound, it was found that methane binds to the metal center through a single M center dot center dot center dot H-C bridge, and the structure is significantly different from the free molecule. These results are important for the development of better C -H functionalization catalysts.
Article
Chemistry, Multidisciplinary
Rana Choumane, Victor Carpentier, Gregory Lefevre
Summary: When using Mg-Fe based LDH as a carrier for extracting Ta(v), the adsorption capacity of tantalum significantly increases after carbonation or calcination pre-treatment. Furthermore, it was found that the main enrichment mechanism of Ta(v) in LDH involves a combination of adsorption and precipitation with magnesium ions.
Article
Chemistry, Multidisciplinary
Timo Trageser, Dariusz Bebej, Michael Bolte, Hans-Wolfram Lerner, Matthias Wagner
Summary: This study investigates the behavior of planarized tetraaryl (mu-hydrido)diborane(4) anion in cycloaddition reactions with heterocumulenes CO2, iPrNCO, and iPrNCNiPr. Different activation modes and product formation are observed when interacting with these heterocumulenes, leading to a proposed mechanistic scenario that rationalizes the individual reaction outcomes and compares B-B vs. B-H bond activation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Organic
Shuai Liu, Nivesh Kumar, Frederic Robert, Yannick Landais
Summary: A visible-light-mediated intramolecular site-selective delta-C(sp3)-H bond arylation of aliphatic trifluoromethanesulfonamides was developed. The reaction proceeds through a radical cascade, involving the generation of a sulfonamidyl radical, 1,5-hydrogen atom transfer, formation of a delta-C-centered radical, and finally cyclization onto a neighboring thiopolyfluoroaryl moiety to provide thiochromanes. The cyclization process occurs via two distinct pathways depending on the substituent X ortho to the native C-S bond.
Article
Chemistry, Physical
Soumadip Banerjee, Tanay Debnath, Avik Ghosh, Abhijit K. Das
Summary: Activation and dissociation processes of gaseous Ammonia and Borane have been studied using a di-nuclear carbide cluster, showing high exothermicity and thermodynamic feasibility in forming stable complexes for both molecules.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Chenting Yan, Rei Kinjo
Summary: The [1+2] cycloaddition reaction between a cyclic (alkyl)-(amino)aluminyl anion and diaryldiazomethane results in the formation of an AlN2 three-membered ring species, which shows interesting reactivity and properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Muhammad Asif Iqbal, Le Lu, Hina Mehmood, Ruimao Hua
Summary: This study reports a Cs2CO3-promoted cross-coupling reaction of arenes with cyano-/nitro-substituted aryl halides in DMSO to afford biaryls in the absence of ligands. The cyano/nitro groups in biaryls are shown to be useful for further transformations. Additionally, the formation of dibenzofurans from reactions between arenes and 1-bromo-2-iodobenzene is reported. A radical mechanism for the formation of biaryls is proposed based on control experiments and theoretical studies.
Article
Chemistry, Inorganic & Nuclear
Ming-Yue Ju, Zi-Heng Fan, Yubin Ma, Yi Jing, Xi-Meng Chen, Xuenian Chen
Summary: Recent research has focused on the synthesis, structures, and reactivities of N-heterocyclic carbene-coordinated boranes. A synthetic method to access NHC center dot BH2NH2 was developed, and its reactivity with HCl or HOTf was investigated. The introduction of NHC molecules had a significant impact on the solubility and reactivities of aminoboranes.
INORGANIC CHEMISTRY
(2023)
Editorial Material
Chemistry, Physical
Michele Ceriotti, Lasse Jensen, David E. Manolopoulos, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily A. Weiss, Xiaoyang Zhu, Jenny Stein, Tianquan Lian
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
G. Stephen Kocheril, Han-Wen Gao, Lai-Sheng Wang
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Anton S. Pozdeev, Wei-Jia Chen, Hyun Wook Choi, Maksim Kulichenko, Dao-Fu Yuan, Alexander I. Boldyrev, Lai-Sheng Wang
Summary: Copper is capable of mediating the formation of bilayer borophenes. Copper-boron binary clusters are used to investigate the interactions between copper and boron, which are crucial for understanding the growth mechanisms of borophenes on copper substrates. In this study, joint photoelectron spectroscopy and theoretical calculations were conducted on two di-copper-doped boron clusters, Cu2B3 (-) and Cu2B4 (-). Well-resolved photoelectron spectra were obtained, revealing the presence of low-lying isomers in both cases. Theoretical calculations showed that the global minimum structures of Cu2B3 (-) and Cu2B4 (-) have different arrangements of copper and boron atoms.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Yan-Na Ma, Huazhan Ren, Yanxuan Wu, Na Li, Feijing Chen, Xuenian Chen
Summary: A chemically robust and efficient synthesis route for B(9)-OH-o-carboranes has been presented in this study, where o-carboranes are oxidized using commercially available 68% HNO3 with the assistance of HOTf and HFIP. The reaction exhibits high efficiency with a wide scope of carboranes, achieving a selectivity of B(9)/B(8) up to 98:2. The success of this transformation relies on the electrophilicity and oxidizability of HNO3, which is promoted through hydrogen bonds formed by HOTf and HFIP. Mechanistic studies reveal that the oxidation of o-carborane involves an initial electrophilic attack of HNO3 to the hydrogen atom at the most electronegative B(9) position. This approach provides a selective way to incorporate carborane moieties into small molecules for boron neutron capture therapy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Dao-Fu Yuan, Yuan Liu, Yue-Rou Zhang, Lai-Sheng Wang
Summary: The first observation of a polarization-assisted dipole-bound state (DBS) for a molecule with a dipole moment below 2.5 debye is reported. Photoelectron and photodetachment spectroscopies are conducted and a DBS is found only 6 cm-1 below the detachment threshold along with sharp vibrational Feshbach resonances. The observed DBS has pi-symmetry stabilized by the strong anisotropic polarizability of indolyl.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
G. Stephen Kocheril, Han-Wen Gao, Lai-Sheng Wang
Summary: We conducted a temperature-controlled photoelectron imaging study on SbO2-, which was produced from a laser vaporisation source and cooled in a cryogenic 3D Paul trap. We obtained vibrationally resolved photoelectron spectra for the ground state detachment transition and determined the bending frequencies for both SbO2 and SbO2-. Franck-Condon simulations allowed us to estimate the vibrational temperature of the trapped SbO2- anion. We also obtained a near-threshold spectrum of SbO2- at a photon energy of 3.4958 eV, revealing partially resolved rotational structure and providing an accurate measurement of the electron affinity of SbO2.
Article
Chemistry, Inorganic & Nuclear
Jiarui Chang, Man Ding, Jie Zhang, Xuenian Chen
Summary: In order to investigate the influence of the pincer backbone on the structure and reactivity of a pincer complex, the bisphosphi-amine PNCNP and bisphosphinite POCOP pincer platinum hydride complexes were reacted with phenylacetylene and carbon disulfide. The results showed that the PNCNP complex had a higher reactivity with carbon disulfide compared to the POCOP complex. X-ray crystal structure analysis revealed that the PNCNP pincer backbone had a greater impact on the resulting complexes' phenylacetylido and dithioformato auxiliary ligands. These findings provide useful insights into the reactivity of the metal center and the coordination of unsaturated auxiliary ligands influenced by PNCNP and POCOP pincer backbones.
Article
Chemistry, Organic
Yanxuan Wu, Wen Lu, Yan-Na Ma, Feijing Chen, Wei Ren, Xuenian Chen
Summary: In this work, a simple and controllable electrophilic aromatic nitration method was developed using commercially available 68% HNO3 as the nitrating reagent and trifluoromethanesulfonic acid(HOTf) as the catalyst, in hexafluoroisopropanol or under solvent-freeconditions. The electrophilic nitration products of different arenes can be obtained in almost quantitative yields by tuning the loading of HOTf. The strong acidity and water absorbing property of HOTf allow this transformation to reach completion in a short time at room temperature.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Yue-Rou Zhang, Dao-Fu Yuan, Lai-Sheng Wang
Summary: Molecular anions with polar neutral cores can support highly diffused dipole-bound states below their detachment thresholds. Recent experimental advances have allowed the investigation of dipole-bound excited states at a new level. This Perspective describes recent progress in the investigation of dipole-bound states using an electrospray photoelectron spectroscopy apparatus equipped with a cryogenically cooled Paul trap.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Yue-Rou Zhang, Dao-Fu Yuan, Chen-Hui Qian, Guo-Zhu Zhu, Lai-Sheng Wang
Summary: Although the influence of molecular polarizability on the formation of dipole-bound states (DBSs) is not well understood, this study investigates the role of polarization interactions in the formation of DBSs using carbazolide as a model compound. The study utilizes cryogenic photodetachment spectroscopy and high-resolution photoelectron spectroscopy and reveals the presence of a polarization-assisted DBS, despite the carbazolyl neutral core having a dipole moment smaller than the critical value. The study also provides valuable information about the vibrational modes and electronic states of carbazolide.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Anton S. Pozdeev, Wei-Jia Chen, Maksim Kulichenko, Hyun Wook Choi, Alexander I. Boldyrev, Lai-Sheng Wang
Summary: Researchers have discovered that copper-boron binary clusters have unique covalent bonding structures, which are determined by the high stability of the appropriate-sized boron chain structures in this range. In larger boron chain structures, it is expected that ionic bonding between copper and boron will occur.
SOLID STATE SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Feijing Chen, Wenjing Guo, Yan-Na Ma, Xuenian Chen
Summary: A highly efficient Pd-catalyzed B(9)-H/B(9)-H oxidative dehydrogenation coupling reaction for the synthesis of 9,9'-bis-o-carboranes has been developed. The properties and derivatization of 9,9'-bis-o-carborane were also investigated, resulting in diverse bis-o-carborane derivatives and bis-nido-carborane.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Xi-Meng Chen, Xing-Chao Yu, Jing-Xian Chi, Yi Jing, Hongju Wang, Na Zhang, Chen Zhang, Yi-Wen Ge, Xuenian Chen
Summary: An efficient method for synthesizing M2B10H14 has been developed, and two possible formation mechanisms of the B10H142- anion have been proposed. The intermediates B10H13- and B10H15- were also detected.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Jia-Xue Mao, Jiarui Chang, Jie Zhang, Xuenian Chen
Summary: The structures and catalytic reactivity of nickel chloride and thiolate complexes supported by benzene-pyridine-based nonsymmetrical PCN pincer ligands were investigated. The composition and substitution of the pincer backbone were found to have a significant influence on the structures and catalytic reactivity.
DALTON TRANSACTIONS
(2023)