Article
Chemistry, Physical
Miguel Gallegos, Aurora Costales, Angel Martin Pendas
Summary: Steric hindrance is a fundamental concept in modern chemistry, but lacks a physically sound root. The use of a real space energetic stance like the Interacting Quantum Atoms approach can provide a more accurate handling of steric hindrance. An energetic estimator called E-ST has been developed to describe steric hindrance more faithfully, and has been validated in various chemical scenarios.
Article
Chemistry, Applied
Tong Zhang, Yanning Han, Qiao Chen, Xinyu Chen, Pengchong Xue
Summary: The study found that substituents had little effect on absorption and emission properties in solution, but had an influence in crystal states; the size of terminal substituents was related to the photophysical properties in crystal states.
Article
Chemistry, Physical
Miguel Gallegos, Aurora Costales, Angel Martin Pendas
Summary: This study sheds light on the importance of steric hindrance in bimolecular nucleophilic substitution and elimination reactions through the analysis and comparison of the evolution of steric energy.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Biochemistry & Molecular Biology
Yoshiaki Kokubo, Itsuki Igarashi, Kenichi Nakao, Wataru Hachiya, Shinichi Kugimiya, Tomohiro Ozawa, Hideki Masuda, Yuji Kajita
Summary: The reaction of newly designed lithiated triamidoamines with VCl3 yielded dinitrogen-divanadium complexes for certain ligands, while a mononuclear vanadium complex was produced for another ligand. Resonance Raman spectroscopy showed differences in stretching vibrations among the complexes with different ligands. The complexes with Cy-2 ligand displayed higher reactivity based on the yields of NH3 and N2H4.
Article
Materials Science, Multidisciplinary
Pengfei She, Zhong Zheng, Yanyan Qin, Feiyang Li, Xiaokang Zheng, Dongdong Zhang, Zhiyuan Xie, Lian Duan, Wai-Yeung Wong
Summary: An effective strategy for engineering the phosphorescence colors of tetrahedral Mn(II) complexes through steric hindrance-driven bond angle distortion is proposed. Modulating the steric hindrance between phosphine and benzofuran and varying the OMnO bond angles allows these Mn(II) complexes to emit from 498 to 548 nm.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Magnus R. R. Buchner, Sergei I. I. Ivlev
Summary: In this study, the phosphine complexes of beryllium chloride, bromide and iodide were prepared and characterized using multinuclear NMR spectroscopy. The molecular structure of one of the complexes was determined using single crystal X-ray diffraction techniques. The study found that the threshold cone angle of the phosphines for coordination to beryllium dihalide fragments is between 136° and 145°. Halide-chloride exchange was observed in dichloromethane, leading to the formation of [(PPh3)BeCl2](2).
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Robin Guthardt, Hannes L. L. Jacob, Dominic Herle, Michael Leibold, Clemens Bruhn, Myron Heinz, Max C. C. Holthausen, Ulrich Siemeling
Summary: Ferrocene-based N-heterocyclic plumbylenes fc[(NSiMe2R)(2)Pb:] (1; fc=1,1'-ferrocenylene) are synthesized easily from [(Me3Si)(2)N](2)Pb and fc(NHSiMe2R)(2) via transamination. They can form unconventional dimers 2 by a process involving cleavage of cyclopentadienyl C-H bond and formation of Pb-C and N-H bonds. The monomer-dimer equilibrium (2 1⇆2) is investigated experimentally and computationally, and found to be greatly influenced by the steric demand of the N-substituents SiMe2R.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Engineering, Environmental
Shuangcheng Fu, Yuchen Qian, Huixin Yuan, Yong Fang
Summary: This paper investigates the influence of cone angles on the separation of light dispersed plastics (PET) and heavy dispersed plastics (PVC) in a hydrocyclone. The results show that different cone angles have different effects on the separation performance, with the Newton efficiency reaching its peak at an optimum cone angle.
Article
Chemistry, Physical
Zemin Zhang, Zetian Tang, Keliang Wang, Ping Wang, Jianfa Yang
Summary: Four new Y-shaped hole-transporting materials (HTMs) were designed by introducing alkyl sulfoxide groups. The introduction of alkyl sulfoxide groups enhances the distribution of holes and orbital overlap, thereby improving the electronic coupling. The steric hindrance and number of substituents affect the transfer and interface properties of the HTMs. The new HTMs can promote hole migration and prevent internal electron-hole recombination, leading to enhanced interface interaction.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Marine
Van-Duyen Pham, Ji-Woo Hong, Ali Kareem Hilo, Kiseong Kim, Byoung-Kwon Ahn
Summary: This paper systematically investigates the effect of cavitator shape on the characteristics of a ventilated supercavity. The results show that a cavitator with a smaller cone angle requires less ventilation gas to generate and maintain a transparent supercavity. The pressure behavior inside the supercavity becomes more uniform with an increase in the Froude number, and the effects of gravity on the ventilated supercavity geometry are minimal.
INTERNATIONAL JOURNAL OF NAVAL ARCHITECTURE AND OCEAN ENGINEERING
(2022)
Article
Engineering, Chemical
Hirakh Jyoti Das, Rituraj Saikia, Pinakeswar Mahanta
Summary: This study introduces a passive spiral device for fluidized bed dryers, which can significantly reduce energy consumption and improve drying characteristics. The incorporation of the spiral reduces energy consumption and enhances drying rate, resulting in better quality of dried products.
Article
Chemistry, Physical
Amanda-Lee Ezra Manicum, Marietjie Schutte-Smith, Frederick P. Malan, Hendrik Gideon Visser
Summary: In this study, three new Re(I) crystal structures were reported and characterized using analytical tools. The analysis revealed that the Re-P bond distances decrease with an increase in the number of electron-withdrawing groups, and the theoretical and experimental results were in good agreement.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Polymer Science
Junyi Nan, Yingtao Fan, Kaitai Hu, Yang Gao, Fangyuan Chen, Yingzhong Shen, Yanhua Yang
Summary: The electrical memory performance of the synthesized TPF-based polyimides can be adjusted by modifying the electron donor structure.
HIGH PERFORMANCE POLYMERS
(2022)
Article
Biochemistry & Molecular Biology
Alexandre P. Felgueiras, Fabio M. S. Rodrigues, Rui M. B. Carrilho, Pedro F. Cruz, Vitor H. Rodrigues, Tamas Kegl, Laszlo Kollar, Mariette M. Pereira
Summary: Four stereoisomeric monoether derivatives based on axially chiral (R)- or (S)-BINOL were synthesized and characterized. The new bulky phosphites showed coordination ability with Rh(CO)(2)(acac), and the resulting catalytic system exhibited excellent activity and selectivity in hydroformylation reactions.
Article
Chemistry, Multidisciplinary
Huazhong Qi, Han Wang, Chao Yan, Yuanzhe Zhan, Keliang Qiang
Summary: This study investigates the strength characteristics of silty clay in the Yellow River Delta through laboratory experiments and utilizes CPTu calibration chamber tests to reveal its features. The research provides a theoretical basis and data support for the investigation and estimation of design parameters in the Yellow River Delta.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Multidisciplinary
Kevin Blaesing, Jonas Bresien, Rene Labbow, Axel Schulz, Alexander Villinger
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2018)
Article
Chemistry, Multidisciplinary
Marcus Kuprat, Axel Schulz, Max Thomas, Alexander Villinger
CANADIAN JOURNAL OF CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
J. Bresien, A. Hinz, A. Schulz, A. Villinger
DALTON TRANSACTIONS
(2018)
Article
Chemistry, Inorganic & Nuclear
Jonas Bresien, Alexander Hinz, Axel Schulz, Alexander Villinger
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Kati Rosenstengel, Axel Schulz, Oliver Niehaus, Oliver Janka, Rainer Poettgen, Alexander Villinger
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Jonas Bresien, Christian Hering-Junghans, Peter Kumm, Axel Schulz, Max Thomas, Alexander Villinger
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Alexander Hepp, Rene Labbow, Fabian Reiss, Axel Schulz, Alexander Villinger
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Paul Felgenhauer, Rene Labbow, Axel Schulz, Alexander Villinger
INORGANIC CHEMISTRY
(2018)
Article
Chemistry, Inorganic & Nuclear
Jonas Bresien, Christian Hering-Junghans, Axel Schulz, Max Thomas, Alexander Villinger
Article
Chemistry, Multidisciplinary
Janet Arras, Tomasz Kruczynski, Jonas Bresien, Axel Schulz, Hansgeorg Schnoeckel
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2019)
Article
Chemistry, Inorganic & Nuclear
Jonas Bresien, Axel Schulz, Max Thomas, Alexander Villinger
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2019)
Article
Chemistry, Multidisciplinary
Joerg Harloff, Dirk Michalik, Simon Nier, Axel Schulz, Philip Stoer, Alexander Villinger
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2019)
Article
Chemistry, Physical
Vladimir V. Zhivonitko, Jonas Bresien, Axel Schulz, Igor Koptyug
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Multidisciplinary
Jonas Bresien, Thomas Kroeger-Badge, Stefan Lochbrunner, Dirk Michalik, Henrik Mueller, Axel Schulz, Edgar Zander
Article
Chemistry, Inorganic & Nuclear
Axel Schulz, Max Thomas, Alexander Villinger
DALTON TRANSACTIONS
(2019)