Article
Chemistry, Physical
Ofelia Hernandez-Negrete, Rogerio R. Sotelo-Mundo, Hilda E. Esparza-Ponce, Javier Hernandez-Paredes
Summary: Boron containing compounds have gained attention for their potential applications as pharmaceuticals, requiring further research on their molecular structure and interactions mechanisms with organic compounds and biological molecules. The synthesis and characterization study of a boron-containing compound revealed the importance of specific types of coordinate bonds and non-covalent interactions in stabilizing the molecules in the solid-state, with molecular self-assembly occurring mainly through non-covalent interactions.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Weize Wang, Linxia Wang, Fei Du, Gang-Ding Wang, Lei Hou, Zhonghua Zhu, Bo Liu, Yao-Yu Wang
Summary: The shortage of permanent porosity is a challenge for creating crystalline organic frameworks (BNOFs), but we report the first microporous crystalline framework (BNOF-1) assembled from sole monomers, which can be synthesized by cheap 4-pyridine boronic acid. BNOF-1 possesses highly porous supramolecular open framework with the highest BET surface area among all BNOFs and record-high uptake of C2H2 and CO2. It can efficiently separate C2H2/CO2 mixtures and be regenerated in organic solvents without loss of performance.
Article
Chemistry, Multidisciplinary
Subhrajyoti Bhandary, Rahul Shukla, Kristof Van Hecke
Summary: We report the mechanochemical synthesis of five single-crystalline phenylboroxine and 1,4-diazabicyclo[2.2.2]octane (DABCO) ligand-based adducts, directed by boron-nitrogen dative bonds. The formation of the resulting bicomponent adducts can be controlled by tuning the electronic features of the phenylboroxines. The electrostatic and quantum topological aspects of the B <- N bonds reveal the origin for the different binding modes of the boroxine-DABCO adducts yielding molecular to polymeric structures.
Article
Chemistry, Multidisciplinary
Daniele Toffoli, Elisa Bernes, Albano Cossaro, Gabriele Balducci, Mauro Stener, Silvia Mauri, Giovanna Fronzoni
Summary: The electronic properties of 2D boroxine networks were investigated by simulating NEXAFS spectra, revealing discrepancies between experimental and calculated results, suggesting strong interaction between 2D boroxine networks and the gold substrate.
Article
Chemistry, Multidisciplinary
Rakesh Puttreddy, J. Mikko Rautiainen, Shilin Yu, Kari Rissanen
Summary: The N-X...O--N+ halogen-bonded systems formed by pyridine N-oxides (PyNOs) as halogen-bond acceptors and N-halosuccinimides, N-halophthalimides, and N-halosaccharins as donors are studied. A simple electrostatic model for predicting XB energies using only the properties of halogen donors and oxygen acceptors is developed. Data from in silico bond energies and single-crystal X-ray structures correlate, but data from solution do not.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Multidisciplinary
Can B. Uzundal, Sasawat Jamnuch, Emma Berger, Clarisse Woodahl, Paul Manset, Yasuyuki Hirata, Toshihide Sumi, Angelique Amado, Hisazumi Akai, Yuya Kubota, Shigeki Owada, Kensuke Tono, Makina Yabashi, John W. Freeland, Craig P. Schwartz, Walter S. Drisdell, Iwao Matsuda, Tod A. Pascal, Alfred Zong, Michael Zuerch
Summary: Second harmonic generation (SHG) spectroscopy is commonly used to investigate surface chemistry, interfacial chemistry, and symmetry properties in solids, but the complexity of novel materials makes interpretation of experiments difficult. Polarization-resolved extreme ultraviolet (XUV-SHG) spectroscopy demonstrates element-specific angular anisotropy investigations for the first time, paving the way for future angle and time-resolved XUV-SHG studies with elemental specificity in condensed matter systems.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Ahmet Kilic, Bekir Patlak, Murat Aydemir, Feyyaz Durap
Summary: A series of new structurally related catechol boronate esters were designed and synthesized as catalysts for the transfer hydrogenation of ketones. The structures of these catechol boronate esters were well-elucidated, and they showed good activity in the transfer hydrogenation of aromatic ketones. Mononuclear molecules were found to be more efficient catalysts compared to dinuclear boronate esters. Among the catalysts, (B-4) and (B4N) exhibited the highest catalytic activity, with (B-4) showing better activity in isoPrOH under mild conditions.
INORGANICA CHIMICA ACTA
(2022)
Article
Chemistry, Inorganic & Nuclear
Chao-Jing Sun, Guoyun Meng, Ya Li, Nan Wang, Pangkuan Chen, Suning Wang, Xiaodong Yin
Summary: This study prepared a series of electron-donor and -acceptor-functionalized BN-doped polycyclic aromatic hydrocarbons and found that compounds with both donor and acceptor exhibit both local emission and charge-transfer emission in polar solvents, with the charge-transfer emission showing phosphorescence characteristics and a long lifetime. The lowering of the S-1 energy level of BN makes intersystem crossing favorable, and the dual-emission phenomenon of BN shows potential for ratiometric sensory materials.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Gregory J. Rees, Mateusz B. Pitak, Alberth Lari, Stephen P. Day, Jonathan R. Yates, Peter Gierth, Kristian Barnsley, Mark E. Smith, Simon J. Coles, John Hanna, John D. Wallis
Summary: This study uses charge density studies, solid state nuclear magnetic resonance (NMR) measurements, and density functional theory (DFT) calculations to characterize the transition from n-pi* interaction to bond formation between a nucleophilic nitrogen atom and an electrophilic sp(2) carbon atom in a series of crystalline peri-substituted naphthalenes. The research shows that as the N....C distance reduces, there is a sharp decrease in the Laplacian derived from increasing charge density, affecting the coupling between N and C atoms.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Inorganic & Nuclear
Svetlana E. Korolenko, Elena A. Malinina, Varvara V. Avdeeva, Andrey V. Churakov, Sergey E. Nefedov, Aleksey S. Kubasov, Anatoliy S. Burlov, Lyudmila N. Divaeva, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov
Summary: In this study, the complexation of zinc(II) and cadmium(II) with benzimidazole derivatives in the presence of a competitive inorganic ligand was investigated. The study revealed the selective isolation of mixed-ligand cadmium(II) complexes with different metal atom positions around the boron cage, as well as the influence of the steric factor of organic ligands on the structure of reaction products.
Article
Chemistry, Multidisciplinary
Nataliya F. Lazareva, Mikhail A. Alekseev, Irina V. Sterkhova, Tatyana V. Rybalova
Summary: New N-isopropyl-N',N'-diphenyl-N-(silylmethyl)ureas were synthesized and characterized by 1H, 13C, 29Si NMR spectroscopy and X-ray analysis. The research findings indicate that N-isopropyl-N',N'-diphenyl-N-[(fluorosilyl)-methyl]ureas exhibit (O-Si) chelation with an intramolecular dative bond of C=O-'Si.
MENDELEEV COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Yasong Zhao, Nailiang Yang, Changda Wang, Li Song, Ranbo Yu, Dan Wang
Summary: This study presents a sequential approach for co-doping B and N atoms into graphdiyne, revealing the strong relationship between heteroatom configurations and doping process, and showing that the method plays a significant role in enhancing current density.
Article
Chemistry, Physical
Ashim Nandi, Naziha Tarannam, Daniela Rodrigues Silva, Celia Fonseca Guerra, Trevor A. Hamlin, Sebastian Kozuch
Summary: Some nitrile-boron halide adducts exhibit a double-well potential energy surface with long bond and short bond structures, which can rapidly interconvert through a boron atom tunneling mechanism, making the long bond structures practically impossible to isolate or characterize.
Article
Chemistry, Multidisciplinary
Lizhao Zhu, Rei Kinjo
Summary: Triboraazabutenyne 3 is obtained by reacting diboraazabutenyne 1 with aryl boron dibromide and subsequent reduction. Ligand exchange with carbene replaces the phosphine on the terminal sp(2) B atom, resulting in the formation of 4. B-11 NMR, solid-state structures, and computational studies reveal the highly polarized B=B bond in both 3 and 4. Compound 4 readily splits the N=N bond of diazo compounds and diazirine, incorporating one nitrogen atom into the B=B moiety to form the neutral diboraazaallene 6. Extensive investigation of the reaction mechanism between 4 and diazo compounds has been carried out using density functional theory (DFT) calculations and isolation of an intermediate.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Hao Gao, Qianli Li, Ping Cui, Chen-Ho Tung, Lingbing Kong
Summary: Researchers have developed a facile route to synthesize B = C double-bonded systems, obtaining corresponding compounds through experiments and further analyzing their electronic structures through theoretical calculations and comparisons.
INORGANIC CHEMISTRY
(2021)