Article
Physics, Fluids & Plasmas
R. Mehaddi, P. Boulet, M. Koutaiba, O. Vauquelin, F. Candelier
Summary: This study examines the dynamics of filling and emptying a box simultaneously, considering both fountain and plume configurations. Experimental results show that in some cases, the fountain configuration is more efficient than the plume configuration.
PHYSICAL REVIEW FLUIDS
(2021)
Article
Education, Scientific Disciplines
Johann Otto, Carl E. Mungan
Summary: This article discusses the time dependence of the liquid height in a right cylindrical tank open to the atmosphere, which is being filled by a laminar jet of incompressible inviscid liquid falling onto its free surface. Fluid is escaping through a hole centered in the bottom of the tank. The analysis level is suitable for an introductory undergraduate course in fluid dynamics.
EUROPEAN JOURNAL OF PHYSICS
(2022)
Article
Green & Sustainable Science & Technology
Cong Zhang, Junsheng Yang, Yipeng Xie, Jinyang Fu, Shuying Wang, Jian Yin
Summary: The increasing tunnel construction in China has posed significant challenges to environmental protection, geological risk control, and construction costs due to the handling of tunnel spoils. This study investigates the possibility of reusing tunnel spoils as lightweight filling material for filling the voids behind tunnel excavation contour. Laboratory tests were conducted to determine the optimal formulation, and a guiding framework for recycling tunnel spoils as lightweight backfill material was proposed. These findings indicate that tunnel spoils can be effectively reused, satisfying engineering requirements while being cost-effective and environmentally friendly.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Mechanics
Ziheng Yu, Gary R. Hunt
Summary: A theoretical model for steady multi-layered flow induced by a vertically distributed buoyancy source in a ventilated box has been presented. Boundary conditions for each layer were established by deducing the turbulent entrainment rate, and closed-form solutions for the streamfunction of the induced flow in each layer were obtained using conformal mapping techniques and Poisson's integral theorem. Re-evaluation of the flow near the ceiling and incorporation of an entraining ceiling current led to a refined stratification that matched well with experimental observations.
JOURNAL OF FLUID MECHANICS
(2021)
Article
Engineering, Civil
Hao Jin, Chen Zhao
Summary: In this study, a three-dimensional calculation model was established to investigate the impact of surface surcharge load on invert-filling disengaging of a shield tunnel. The accuracy of the model was confirmed through a full-scale test. The relationship among shield tunnel settlement, deformation, and invert-filling disengaging indicators was analyzed using this model, and it was found that there are correlations and certain trends among them.
INTERNATIONAL JOURNAL OF CIVIL ENGINEERING
(2023)
Article
Engineering, Civil
Hao Jin, Jie Su, Chen Zhao
Summary: This study establishes a 3D numerical model to investigate the impact of disengaging between invert filling and segment on the safety of train operation in a three-ring staggered assembled shield tunnel. By inserting cohesive elements, the fracture process of the invert filling-segment interface is simulated, and the relationship between the deformation of the tunnel and the disengaging of the invert filling is explored. The study reveals that the development of invert filling disengaging affects the internal forces of the tunnel segments.
KSCE JOURNAL OF CIVIL ENGINEERING
(2022)
Article
Mathematics
Leonid Plotnikov
Summary: The study aimed to obtain experimental data on local heat transfer of pulsating flows in the intake and outlet pipelines of a piston engine model and to analyze and mathematically describe them. The scientific novelty of the study lies in the first-time acquisition of the patterns of change in the local heat transfer coefficients of pulsating gas flows in the inlet and outlet pipelines for the piston engine model and the proposed mathematical description of the experimental data on local and average heat transfer. The results obtained have important applications in evaluating the quality of cylinder filling and cleaning, determining thermal stresses in gas exchange system components, developing exhaust gas energy utilization devices, creating engine control systems, etc.
Article
Environmental Sciences
Hao Jin, Zheng Li, Zhihong Wang, Shilong Tang
Summary: This paper designs a new type of spherical energy harvester for rubberized concrete tunnel invert-filling, and analyzes the vertical displacement, stress, voltage, and total electric energy using the calculation model. The main conclusions include the optimal position of the energy harvester, the electric energy generation, and the comparison between rubberized concrete and ordinary concrete tunnel invert-filling in terms of energy harvesting and mechanical performance. The research results have reference value for further exploration of electric energy harvesting in the running environment of rail transit trains.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Construction & Building Technology
Yu Wan, Zhiduo Zhu, Lei Song, Shigong Song, Jun Zhang, Xiaobin Gu, Xiaoyu Xu
Summary: Ground surface settlement is inevitable during shield tunneling due to over excavation by the shield machine and the annular gap between the shield and surrounding soils. Clay shock, a two-component grouting material, can be used to fill the shield-out space. Laboratory tests showed that the viscosity and mechanical strength of clay shock can be influenced by additives, and the chemical reaction between sodium silicate and bentonite is affected by water content.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Construction & Building Technology
Hao Jin, Qingrong Tian, Zheng Li, Zhihong Wang
Summary: This paper investigates the dynamic characteristics of Crumb Rubber Concrete (CRC) tunnel invert-filling. By constructing specimen models and establishing a macroscopic model, the vibration acceleration and damping performance of CRC tunnel invert-filling with different rubber content were analyzed. The results show that CRC tunnel invert-filling can effectively attenuate vibration acceleration and, compared to 0% rubber content, 10% rubber content performs the best.
CONSTRUCTION AND BUILDING MATERIALS
(2022)
Article
Acoustics
Hua Jiang, Longfei Chang, Jingling Zhang, Pinglin Jiang
Summary: Excavation gap filling is an effective method to reduce stratum movement and tunnel deformation, which can effectively reduce surface settlement rate and stabilize surface settlement faster, changing the curve shape of settlement trough from narrow and deep to shallow and wide. The choice of grout material with short hardening time, large elastic modulus, and low shear strength is important for reducing extrusion deformation of sewage pipes and inhibiting their horizontal and vertical displacement during excavation gap filling.
SHOCK AND VIBRATION
(2021)
Article
Construction & Building Technology
Weilong Song, Fusheng Zha, Zhiduo Zhu, Fei Wang
Summary: This paper presents a comparative study of the sulfate resistance between a typical ordinary Portland cement (OPC)-based grout and two groups of representative novel alkali-activated filling grout (AAG). The results showed that AAG exhibited more slight deterioration than OPC-based grout in terms of visual appearance, mass loss, and strength reduction, due to its denser matrix structure, lower calcium content, and more stable bonded aluminum phases.
JOURNAL OF MATERIALS IN CIVIL ENGINEERING
(2023)
Article
Geochemistry & Geophysics
Shaoshuai Shi, Xiangxiang Zhu, Zhiguo Cao, Lin Bu, Zhijie Wen, Zongqing Zhou, Weidong Guo, Ruijie Zhao
Summary: Through the study using a large-scale triaxial stress-seepage test system, the seepage characteristics and failure process of roadway filling medium consisting of cohesive soil under complex hydrogeological conditions were explored. The research results have guidance value for understanding the instability evolution mechanism of filling medium in deep roadway.
Article
Engineering, Geological
Peinan Li, Jun Liu, Lai Shi, Yixin Zhai, Dezhong Huang, Jie Fan
Summary: This paper investigates the grout filling diffusion mechanism and mechanical behavior in large section shield tunnels, proposing a semi-elliptical surface compound diffusion model for more accurate results. Through a case study in a soft silty clay area, the analysis of grout pressure distribution patterns and critical influence factors shows that the proposed theoretical model is consistent with field-measured data. The diffusion mechanical behavior significantly affects grout pressures and the local trends in pressure distribution differ from those in circular tunnels.
INTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS
(2022)
Article
Environmental Sciences
Jingkai Liu, Yaan Hu, Zhonghua Li, Shu Xue
Summary: The study effectively integrated numerical simulation and cloud model theory to address the hydrodynamic risks presented by water surface deviations from the shafts in hydro-floating ship lifts. It was found that an increase in lifting height leads to a greater water surface deviation from the shafts and increased hydrodynamic risks in the filling-emptying system. Additionally, the longitudinal culvert was shown to be better at optimizing running safety and dealing with uncertainties in water surface deviations compared to the equal inertial pipeline system in a lock-like environment.
Article
Chemistry, Physical
Joseph Handy, Wasif Zaheer, Arianna R. M. Rothfuss, Caitlin R. McGranahan, George Agbeworvi, Justin L. Andrews, Karoline E. Garcia-Pedraza, John D. Ponis, Jaime R. Ayala, Yu Ding, David F. Watson, Sarbajit Banerjee
Summary: With the current economic growth and consumption trends, the world is facing a major issue of global warming caused by greenhouse gas emissions. To combat climate change, it is crucial to decarbonize the transportation infrastructure and develop efficient photocatalytic architectures that can utilize water or CO2 to store solar energy. This perspective article introduces a palette of heterostructures designed for direct solar-driven water splitting and CO2 reduction, which involve the use of quantum dots and vanadium oxide compounds. The design principles and synthetic strategies for these heterostructures are discussed, along with the potential application of machine learning and high-throughput synthesis in materials design.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Yuting Luo, Yang Bai, Aashutosh Mistry, Yuwei Zhang, Dexin Zhao, Susmita Sarkar, Joseph V. Handy, Shahed Rezaei, Andrew Chihpin Chuang, Luis Carrillo, Kamila Wiaderek, Matt Pharr, Kelvin Xie, Partha P. Mukherjee, Bai-Xiang Xu, Sarbajit Banerjee
Summary: This study used operando techniques to investigate the impact of electrode particle geometry on the phase transformations induced by lithiation in lithium-ion batteries. It found that the particle geometry affects the modulation of metastable phase regimes and electrode tortuosity, providing key design principles for intercalation cathodes.
Review
Chemistry, Multidisciplinary
Parker Schofield, Adelaide Bradicich, Rebeca M. Gurrola, Yuwei Zhang, Timothy D. Brown, Matt Pharr, Patrick J. Shamberger, Sarbajit Banerjee
Summary: Future-generation neuromorphic computing aims to emulate the functions of neurons and synapses in the human brain in order to overcome the limitations of current computing architectures. This article discusses VO2 as an attractive material candidate and strategies for tuning its transformation characteristics. The importance of mechanistic understanding and inverse design is emphasized.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
David A. Santos, Shahed Rezaei, Delin Zhang, Yuting Luo, Binbin Lin, Ananya R. Balakrishna, Bai-Xiang Xu, Sarbajit Banerjee
Summary: Despite being widely used in electrochemical energy storage, the full potential of lithium-ion batteries is not yet fully realized due to challenges in addressing common degradation mechanisms. This perspective highlights the coupling between electrochemistry, mechanics, and geometry in lithium-ion batteries and emphasizes the importance of material design in improving battery performance and mitigating degradation.
Article
Physics, Applied
Zhao Tang, Greis J. Cruz, Fanhao Jia, Yabei Wu, Weiyi Xia, Peihong Zhang
Summary: Using highly accurate many-body perturbation theory, we predict that a type-II heterostructure made of C3N and C3B monolayers can exhibit extraordinary optical activity in the mid-to far-infrared range. This heterostructure supports bright, low-energy interlayer excitons with large binding energies, providing an ideal material for mid-to far-infrared applications at room temperature.
PHYSICAL REVIEW APPLIED
(2023)
Article
Nanoscience & Nanotechnology
Arianna R. M. Rothfuss, Jaime R. Ayala, Joseph V. Handy, Caitlin R. McGranahan, Karoline E. Garcia-Pedraza, Sarbajit Banerjee, David F. Watson
Summary: Linker-assisted assembly (LAA) was used to connect CdS quantum dots (QDs) to MoS2 nanosheets, forming ligand-bridged CdS/MoS2 heterostructures for redox photocatalysis. LAA allowed precise control over the light-harvesting properties of QDs within the heterostructures. The transfer of electrons from CdS QDs to MoS2 nanosheets was tunable with the properties of bridging ligands. The charge separation across the CdS/MoS2 interface was crucial for the photocatalytic activity of CdS-L-MoS2 heterostructures.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
George Agbeworvi, Wasif Zaheer, Joseph V. Handy, Justin L. Andrews, Saul Perez-Beltran, Cherno Jaye, Conan Weiland, Daniel A. Fischer, Perla B. Balbuena, Sarbajit Banerjee
Summary: The 5/6s(2) lone-pair electrons of p-block cations in their lower oxidation states have versatile electronic and geometric structures that play a crucial role in various applications, such as nonlinear optics, thermochromics, thermoelectrics, neuromorphic computing, and photocatalysis. By installing these lone-pair-bearing cations in interstitial sites of intercalation hosts, their electronic structure can be systematically modulated while maintaining the overall framework connectivity. The stereochemical activity and energy positioning of mid-gap states derived from lone pairs depend on cation identity, stoichiometry, and anion hybridization.
CHEMISTRY OF MATERIALS
(2023)
Article
Multidisciplinary Sciences
Saul Perez-Beltran, Wasif Zaheer, Zeyang Sun, William F. Defliese, Sarbajit Banerjee, Ethan L. Grossman
Summary: Carbon (C-13) and oxygen (O-18) isotopes in carbonates can serve as a valuable paleothermometer for sedimentary carbonates and fossils, but their signal resets with increasing temperature after burial. This study investigates the atomistic mechanism of carbonate-clumped isotope reordering in calcite through first-principles simulations. The research reveals the preferred configuration and the role of impurities, trapped water, and Mg2+ substitution in lowering the free energy of activation (?A(sic)) compared to pristine calcite. Additionally, a water-mediated exchange mechanism involving a hydroxylated four-coordinated carbon atom is proposed, showing the lowest ?A(sic) and confirming the facilitation of clumped isotope reordering by internal water.
Article
Materials Science, Multidisciplinary
Fan Zhang, Weiwei Gao, Greis J. Cruz, Yi-yang Sun, Peihong Zhang, Jijun Zhao
Summary: Using first-principles calculations, we find extremely strong exciton binding energies of about 1 eV in moderate-gap, inorganic bulk semiconductors. These binding energies exceed those of other similar semiconductors and even two-dimensional semiconductors. The lowest bright exciton energies calculated are in good agreement with optical measurements. The excitons in these materials resemble Frenkel excitons in molecular crystals and exhibit weak dielectric screening effects and nearly flat frontier electronic bands derived from weakly coupled [MX6]2- units. Spin-orbit coupling effects play a crucial role in redshifting the lowest bright exciton, while exciton-phonon coupling effects are minor.
Article
Materials Science, Multidisciplinary
Joseph V. Handy, Wasif Zaheer, Ryan Albers, George Agbeworvi, Teak D. Boyko, Vladimir Bakhmoutov, Nattamai Bhuvanesh, Sarbajit Banerjee
Summary: The expanding toolbox of functionalization chemistries allows for selective installation of moieties on specific sites of a substrate, making it the foundation of modern organic and biochemical syntheses. In the field of lithium-ion battery electrodes, the installation of mobile guest ions in specific interstitial sites plays a crucial role. However, the site-selective positioning of cations with atomic precision is still unexplored. This study demonstrates the use of topochemistry to achieve site-selective positioning of Li ions in a 1D z-V2O5 insertion host, providing unprecedented structural insight into fully stuffed frameworks critical for high-energy-density intercalation electrodes.
Article
Geochemistry & Geophysics
Zeyang Sun, Saul Perez-Beltran, Wasif Zaheer, William F. Defliese, Sarbajit Banerjee, Ethan L. Grossman
Summary: The Delta(47) signatures of carbonates are susceptible to resetting at elevated temperatures during burial, which affects the accuracy of temperature reconstruction. Experimental and simulation studies reveal the reordering rates of different carbonates and the factors influencing the reordering process, providing a basis for the development of a kinetic model.
EARTH AND PLANETARY SCIENCE LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Luis Carrillo, Parker Schofield, Seth Zercher, Jaehyen Jung, Rachel Davidson, Sarbajit Banerjee
Summary: The importance of more earth-abundant battery chemistries has led to the exploration of alternative chemistries in Li-ion batteries. This study focuses on the utilization of metal anodes, particularly magnesium, which faces challenges such as passivation layers and 3D deposits. The researchers use an electroless galvanic replacement reaction to create 3D scaffolds incorporating antimony, modulating the reaction kinetics and morphology of the resulting products. These composite architectures show promise for the design of anodic frameworks.
Article
Chemistry, Multidisciplinary
Salahuddin Attar, Rui Yang, Zhihui Chen, Xiaozhou Ji, Marc Comi, Sarbajit Banerjee, Lei Fang, Yao Liu, Mohammed Al-Hashimi
Summary: Ladder-type thiazole-fused S,N-heteroacenes with extended pi-conjugation have been synthesized and characterized. These compounds exhibit good optical, electronic, and thermal properties and show promising charge transport behavior in organic thin-film transistors.
Article
Chemistry, Physical
Fernando A. Soto, Perla B. Balbuena, Sarbajit Banerjee, Lei Fang
Summary: A class of molecules capable of achieving electronic instabilities on MoS2 surfaces have been discovered, which is of great significance for neuromorphic computing.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Joseph V. Handy, Justin L. Andrews, Baiyu Zhang, Doyun Kim, Nattamai Bhuvanesh, Qing Tu, Xiaofeng Qian, Sarbajit Banerjee
Summary: This study utilizes topochemistry to obtain single crystals of a metastable 2D van der Waals solid, gamma'-V2O5, and investigates its transformations during lithiation up to g-LiV2O5 using high-resolution single crystal diffraction. The results reveal preferred interstitial sites occupied by Li ions and lattice distortions during lithium diffusion, which are significantly different from the thermodynamic alpha-V2O5 phase. This study demonstrates the potential of metastable compounds with reconfigured atomic connectivity to uncover lithiation pathways and mechanisms that differ from their thermodynamic counterparts, and highlights the feasibility of combining topochemical modification with single crystal diffraction for atomic resolution imaging of intercalation phenomena.
CELL REPORTS PHYSICAL SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Alexander M. Prophet, Kritanjan Polley, Gary J. Van Berkel, David T. Limmer, Kevin R. Wilson
Summary: The oxidation kinetics of iodide by ozone at the air-water interface is studied in single microdroplets. Molecular simulations and kinetic modeling are used to understand the underlying multiphase mechanism.
Article
Chemistry, Multidisciplinary
Rong Zhang, Jiajing Lan, Fei Wang, Shumei Chen, Jian Zhang
Summary: By utilizing 1,1'-ferrocene dicarboxylic acid as a chelating and surface protection ligand, we have synthesized multi-nuclear indium oxide clusters with varying nuclear sizes, including heptanuclear and thirteen-nuclear clusters. These clusters possess labile coordination sites, allowing for structural modification and self-assembly, resulting in the formation of various cluster structures.
Article
Chemistry, Multidisciplinary
Hui Wang, Hui Liu, Mingsen Wang, Jiaheng Hou, Yongjun Li, Yuancheng Wang, Yingjie Zhao
Summary: Two supramolecular complexes were prepared using CBs and M1, and their single-crystal structures were analyzed by SCXRD. The unexpected 1:2 self-assembly structure between M1 and CB[8] was discovered for the first time. These complexes exhibit unique photophysical properties and provide valuable information about the structure and photophysical properties of supramolecular complexes.
Article
Chemistry, Multidisciplinary
Chang-Hee Lee, Sookil Park, Sanggil Kim, Ji Young Hyun, Hyun Soo Lee, Injae Shin
Summary: The epidermal growth factor receptor (EGFR) is a cell-surface glycoprotein involved in cell proliferation and tumor development. This study used a fluorescently labeled EGFR to investigate its time-dependent endocytosis in live cells and found that appended glycans affect EGFR internalization. Additionally, the study detected sialic acid residues attached to EGFR on the live cell surface using FRET-based imaging. This research provides valuable insights into the cellular functions of EGFR.
Article
Chemistry, Multidisciplinary
Subhankar Sahu, Lokesh Kumar, Sumita Das, Dipti Gupta, Ruchi Anand
Summary: This study proposes a strategy that combines organic electronics with biosensor scaffolds to create a compact device for monitoring environmental aromatic pollution. By coupling biosensing protein MopR with an organic electrochemical transistor (OECT), a sensor module capable of efficient detection of phenol was designed. Exclusive phenol detection with minimal loss of sensitivity could be achieved in complex pollutant mixtures and real environmental samples.
Review
Chemistry, Multidisciplinary
Changseok Lee, Hyung-Joon Kang, Sungwoo Hong
Summary: The formation of C-N bonds through hydroamination reactions catalyzed by nickel hydrides has been a topic of recent interest. This approach offers a way to efficiently transform a variety of alkene and alkyne substrates into compounds enriched with C-N bonds. The review provides a concise overview of the underlying reaction mechanisms and aims to stimulate further progress in NiH-catalytic techniques and catalyst design.
Article
Chemistry, Multidisciplinary
Yueci Wu, Lu-Lu Sun, Hai-Hao Han, Xiao-Peng He, Weiguo Cao, Tony D. James
Summary: Drug-induced liver injury (DILI) is a common cause of acute liver failure in the USA and Europe, but most cases can be recovered or prevented by discontinuing the offending drug. Recent research has found that peroxynitrite (ONOO-) can be used as a potential indicator for early diagnosis of DILI, and there is an urgent need to establish a method to detect and track peroxynitrite in DILI cases. In this study, a FRET-based nano fluorescent probe CD-N-I was developed, which showed high selectivity and sensitivity in detecting peroxynitrite. The probe successfully detected exogenous peroxynitrite in live cells and endogenous peroxynitrite in APAP-induced liver injury of HepG2 cells.
Article
Chemistry, Multidisciplinary
Dmitry L. Lipilin, Mikhail O. Zubkov, Mikhail D. Kosobokov, Alexander D. Dilman
Summary: This article describes a direct photocatalytic method for the thiolation of unprotected acids, which was previously challenging. By using a thionocarbonate reagent with an N-O bond, the efficient conversion of carboxylic acids to thiols is achieved.
Article
Chemistry, Multidisciplinary
Jason Malenfant, Lucille Kuster, Yohann Gagne, Kouassi Signo, Maxime Denis, Sylvain Canesi, Mathieu Frenette
Summary: Raman microscopy can reveal compound-specific vibrational fingerprints without sample preparation. The combination of efficient theoretical calculations and a user-friendly software can accurately predict peak positions and provide match scores to assist with structure determination.
Article
Chemistry, Multidisciplinary
Jayoh A. Hernandez, Paul S. Micus, Sean Alec Lois Sunga, Luca Mazzei, Stefano Ciurli, Gabriele Meloni
Summary: Essential trace metals play crucial roles in the survival and virulence of bacterial pathogens. Helicobacter pylori requires nickel for colonization and persistence in the stomach, and NixA is an essential nickel transporter in this process. This study characterizes the selectivity and electrogenic nature of NixA-mediated nickel transport.
Article
Chemistry, Multidisciplinary
Tarali Devi, Kuheli Dutta, Jennifer Deutscher, Stefan Mebs, Uwe Kuhlmann, Michael Haumann, Beatrice Cula, Holger Dau, Peter Hildebrandt, Kallol Ray
Summary: This study emphasizes the importance of subtle electronic changes and secondary interactions in the stability of biologically relevant metal-dioxygen intermediates. It also shows that the role of the chloride ligand in stabilizing the Fe-III-(OOBu)-Bu-t moiety can extend to other anions, including the thiolate ligand.
Article
Chemistry, Multidisciplinary
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
Summary: By studying the folding kinetics and mechanism of the BdpA sequence, researchers found that altering the backbone connectivity can affect protein folding. This suggests that protein mimetic chains have a significant degree of plasticity in transitioning between unfolded and folded states.
Article
Chemistry, Multidisciplinary
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
Summary: This study presents the first direct spectroscopic evidence of a cyclic seven-membered iminoborane. Compared to linear amino-iminoboranes, this cyclic iminoborane exhibits weakened bond strength and lower Lewis acidity value. The study suggests that the reduced ring strain of cyclic iminoborane prevents nitrogen fixation but allows facile (2 + 2) cycloaddition reaction with C2H4.
Article
Chemistry, Multidisciplinary
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brazda, Mahesh Hariharan, Brijith Thomas
Summary: This study reveals the packing arrangement of partially disordered nitro-perylenediimide (NO2-PDI) using a synergistic approach that combines 3D ED, ssNMR, and DFT techniques. By overcoming these challenges, this methodology opens up new avenues for material characterization, driving exciting advancements in the field.