Polymer Network Comprised of Steroidal Rotors as a Promising Storage Material
Chemphyschem. 2024 Mar 15;25(6):e202400184. doi: 10.1002/cphc.202400184.ABSTRACTThe front cover artwork is provided by Dr habil. Izabella Jastrzebska's group from the University of Białystok, Poland. The image shows a polymeric network with molecular rotors (MR) as crosslinks. The MR rotation is slowed or inhibited when a molecule of stored gas is placed inside the polymer material. Read the full text of the Research Article at 10.1002/cphc.202300793.PMID:38488206 | DOI:10.1002/cphc.202400184 (Source: Chemphyschem)
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Joanna Wysocka Marta Malinowska Tomasz Pawlak Bo żena Zgardzińska Karolina H Markiewicz Pawe ł Misiak Agnieszka Z Wilczewska Marek Potrzebowski Rosa Santillan Edwin Fl órez-López Norberto Farf án Izabella Jastrzebska Source Type: research
Covalent Tethering of Cobalt Porphyrins on Phenolic Resins for Electrocatalytic Oxygen Reduction and Evolution Reactions
Chemphyschem. 2024 Mar 15:e202400213. doi: 10.1002/cphc.202400213. Online ahead of print.ABSTRACTThe front cover artwork is provided by Rui Cao's group at Shaanxi Normal University. The image shows the design of Co-porphyrin-engineered phenolic resins with intramolecular phenolic hydroxyl groups to facilitate proton and electron transfers for efficient oxygen electrocatalysis, which is bioinspired by cytochrome c oxidases, and shows the excellent performance of Zn-air batteries assembled with the hybrid material. Read the full text of the Research Article at 10.1002/cphc.202400017.PMID:38488296 | DOI:10.1002/cphc.202400213...
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Jiafan Kong Haonan Qin Luna Yang Jieling Zhang Yuxin Peng Yimei Gao Yizhen Wu Wonwoo Nam Rui Cao Source Type: research
Role of Constituent Oxides for Thermal Mineralization of o-Dichloro Benzene over Mixed-Oxide-TiO2 Catalysts: A Mechanistic Explanation
Chemphyschem. 2024 Mar 15:e202300472. doi: 10.1002/cphc.202300472. Online ahead of print.ABSTRACTCatalysts with V2O5, WO3 and V2O5-WO3 dispersed over TiO2 were synthesized using sol-gel technique and thoroughly characterized by various techniques. The catalysts were evaluated for degradation of ortho-dichloro benzene (o-DCB) in air/helium, a representative probe molecule for polychlorinated dibenzo-para-dioxin and polychlorinated dibenzofuran by employing in situ Fourier-transform infrared spectroscopy (FT-IR spectroscopy). Different intermediate species formed on the surface of the TiO2 supported catalysts through of inte...
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Kaustava Bhattacaharyya Adarsh Kumar Deepak Tyagi A K Tripathi A K Tyagi Source Type: research
Polymer Network Comprised of Steroidal Rotors as a Promising Storage Material
Chemphyschem. 2024 Mar 15;25(6):e202400184. doi: 10.1002/cphc.202400184.ABSTRACTThe front cover artwork is provided by Dr habil. Izabella Jastrzebska's group from the University of Białystok, Poland. The image shows a polymeric network with molecular rotors (MR) as crosslinks. The MR rotation is slowed or inhibited when a molecule of stored gas is placed inside the polymer material. Read the full text of the Research Article at 10.1002/cphc.202300793.PMID:38488206 | DOI:10.1002/cphc.202400184 (Source: Chemphyschem)
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Joanna Wysocka Marta Malinowska Tomasz Pawlak Bo żena Zgardzińska Karolina H Markiewicz Pawe ł Misiak Agnieszka Z Wilczewska Marek Potrzebowski Rosa Santillan Edwin Fl órez-López Norberto Farf án Izabella Jastrzebska Source Type: research
Covalent Tethering of Cobalt Porphyrins on Phenolic Resins for Electrocatalytic Oxygen Reduction and Evolution Reactions
Chemphyschem. 2024 Mar 15:e202400213. doi: 10.1002/cphc.202400213. Online ahead of print.ABSTRACTThe front cover artwork is provided by Rui Cao's group at Shaanxi Normal University. The image shows the design of Co-porphyrin-engineered phenolic resins with intramolecular phenolic hydroxyl groups to facilitate proton and electron transfers for efficient oxygen electrocatalysis, which is bioinspired by cytochrome c oxidases, and shows the excellent performance of Zn-air batteries assembled with the hybrid material. Read the full text of the Research Article at 10.1002/cphc.202400017.PMID:38488296 | DOI:10.1002/cphc.202400213...
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Jiafan Kong Haonan Qin Luna Yang Jieling Zhang Yuxin Peng Yimei Gao Yizhen Wu Wonwoo Nam Rui Cao Source Type: research
Role of Constituent Oxides for Thermal Mineralization of o-Dichloro Benzene over Mixed-Oxide-TiO2 Catalysts: A Mechanistic Explanation
Chemphyschem. 2024 Mar 15:e202300472. doi: 10.1002/cphc.202300472. Online ahead of print.ABSTRACTCatalysts with V2O5, WO3 and V2O5-WO3 dispersed over TiO2 were synthesized using sol-gel technique and thoroughly characterized by various techniques. The catalysts were evaluated for degradation of ortho-dichloro benzene (o-DCB) in air/helium, a representative probe molecule for polychlorinated dibenzo-para-dioxin and polychlorinated dibenzofuran by employing in situ Fourier-transform infrared spectroscopy (FT-IR spectroscopy). Different intermediate species formed on the surface of the TiO2 supported catalysts through of inte...
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Kaustava Bhattacaharyya Adarsh Kumar Deepak Tyagi A K Tripathi A K Tyagi Source Type: research
Polymer Network Comprised of Steroidal Rotors as a Promising Storage Material
Chemphyschem. 2024 Mar 15;25(6):e202400184. doi: 10.1002/cphc.202400184.ABSTRACTThe front cover artwork is provided by Dr habil. Izabella Jastrzebska's group from the University of Białystok, Poland. The image shows a polymeric network with molecular rotors (MR) as crosslinks. The MR rotation is slowed or inhibited when a molecule of stored gas is placed inside the polymer material. Read the full text of the Research Article at 10.1002/cphc.202300793.PMID:38488206 | DOI:10.1002/cphc.202400184 (Source: Chemphyschem)
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Joanna Wysocka Marta Malinowska Tomasz Pawlak Bo żena Zgardzińska Karolina H Markiewicz Pawe ł Misiak Agnieszka Z Wilczewska Marek Potrzebowski Rosa Santillan Edwin Fl órez-López Norberto Farf án Izabella Jastrzebska Source Type: research
Covalent Tethering of Cobalt Porphyrins on Phenolic Resins for Electrocatalytic Oxygen Reduction and Evolution Reactions
Chemphyschem. 2024 Mar 15:e202400213. doi: 10.1002/cphc.202400213. Online ahead of print.ABSTRACTThe front cover artwork is provided by Rui Cao's group at Shaanxi Normal University. The image shows the design of Co-porphyrin-engineered phenolic resins with intramolecular phenolic hydroxyl groups to facilitate proton and electron transfers for efficient oxygen electrocatalysis, which is bioinspired by cytochrome c oxidases, and shows the excellent performance of Zn-air batteries assembled with the hybrid material. Read the full text of the Research Article at 10.1002/cphc.202400017.PMID:38488296 | DOI:10.1002/cphc.202400213...
Source: Chemphyschem - March 15, 2024 Category: Chemistry Authors: Jiafan Kong Haonan Qin Luna Yang Jieling Zhang Yuxin Peng Yimei Gao Yizhen Wu Wonwoo Nam Rui Cao Source Type: research
Attenuating the Polysulfide Shuttle Mechanism by Separator Coating
Chemphyschem. 2024 Mar 14:e202300858. doi: 10.1002/cphc.202300858. Online ahead of print.ABSTRACTLithium-sulfur batteries have a high energy density but lack cycle stability to reach market maturity. This is mainly due to the polysulfide shuttle mechanism, i.e., the leaching of active material from the cathode into the electrolyte and subsequent side reactions. We demonstrate how to attenuate the polysulfide shuttle by magnetron sputtering molybdenum oxysulfide, manganese oxide, and chromium oxide onto microporous polypropylene separators. The morphology of the amorphous coatings was analyzed by SEM and XRD. Electrochemica...
Source: Chemphyschem - March 14, 2024 Category: Chemistry Authors: Sebastian Daniel Hirt Martin Opitz Herbert Kappl Mareike H ägele Pascal Sous Bernd Oberschachtsiek Seniz S örgel Holger Ka ßner Harry Ernst Hoster Source Type: research
Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac-Me2Si( η5-C9H6)2Zr (SBIZr) Complexes
Chemphyschem. 2024 Mar 12:e202300856. doi: 10.1002/cphc.202300856. Online ahead of print.ABSTRACTActivation of SBIZrMe2 or SBIZrMeCl and a sheet model for an active component of hydrolytic MAO, (MeAlO)16(Me3Al)6, (16,6) has been studied by DFT. Contact ion-pair formation occurs through the intermediacy of SBIZrMe(Cl) or SBIZrMe2 reacting with sheet 16,6 to furnish SBIZrMe-µ-X(MeAlO)16(Me3Al)6 (2, X = Me, Cl). Contact ion-pairs 2 would be in equilibrium with heterodinuclear catalyst precursors [SBIZrMe2AlMe2][(MeAlO)16(Me3Al)6X] (3 (X = Me, Cl) through reversible binding of Me3Al at higher Al:Zr ratios. Calculations show t...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Scott Collins Mikko Linnolahti Source Type: research
Many-body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective
Chemphyschem. 2024 Mar 12:e202300938. doi: 10.1002/cphc.202300938. Online ahead of print.ABSTRACTThis concept delves into quantum particle transport at the nanoscale, with a particular focus on how electrons move through molecular circuits. The thriving field of single molecular electronics benefits from the unique electrical and other properties of nanostructures. It concentrates on single molecular junctions that serve as bridges between electrodes. In this context, the electronic correlation-induced many-body effect gives rise to resonant states. These states, along with conductance, depend on electron spin. Thus, the f...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Amrit Sarmah Pavel Hobza Asit K Chandra Sivaprasad Mitra Takahito Nakajima Source Type: research
Accurate Experimental Structure of 1-Chloronaphthalene
Chemphyschem. 2024 Mar 12:e202400072. doi: 10.1002/cphc.202400072. Online ahead of print.ABSTRACTThe structure of isolated 1-chloronaphthalene has been investigated in a supersonic expansion by high-resolution chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in the 2-8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed us to observe all the heavy atoms isotopologues in natural abundance, determining their rotational constants. From the extensive e...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Pablo Pinacho Pablo Gomez Juan Carlos Lopez Susana Blanco Source Type: research
Quantum chemistry and pharmacy: diagnostic check of the thermochemistry of ibuprofen
Chemphyschem. 2024 Mar 12:e202400066. doi: 10.1002/cphc.202400066. Online ahead of print.ABSTRACTThe thermodynamic data on ibuprofen available in the literature shows that the disarray of experimental results is unacceptable for this very important drug. The data on ibuprofens available in the literature were collected, combined with our complementary experimental results and evaluated. The enthalpies of combustion and formation of the crystalline RS-(±)- and S-(+)-ibuprofens were measured using high-precision combustion calorimetry. The temperature dependence of the vapour pressure of S-(+)-ibuprofen was measured using t...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Vladimir N Emel Yanenko Kseniya V Zherikova Sergey P Verevkin Source Type: research
Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac-Me2Si( η5-C9H6)2Zr (SBIZr) Complexes
Chemphyschem. 2024 Mar 12:e202300856. doi: 10.1002/cphc.202300856. Online ahead of print.ABSTRACTActivation of SBIZrMe2 or SBIZrMeCl and a sheet model for an active component of hydrolytic MAO, (MeAlO)16(Me3Al)6, (16,6) has been studied by DFT. Contact ion-pair formation occurs through the intermediacy of SBIZrMe(Cl) or SBIZrMe2 reacting with sheet 16,6 to furnish SBIZrMe-µ-X(MeAlO)16(Me3Al)6 (2, X = Me, Cl). Contact ion-pairs 2 would be in equilibrium with heterodinuclear catalyst precursors [SBIZrMe2AlMe2][(MeAlO)16(Me3Al)6X] (3 (X = Me, Cl) through reversible binding of Me3Al at higher Al:Zr ratios. Calculations show t...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Scott Collins Mikko Linnolahti Source Type: research
Many-body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective
Chemphyschem. 2024 Mar 12:e202300938. doi: 10.1002/cphc.202300938. Online ahead of print.ABSTRACTThis concept delves into quantum particle transport at the nanoscale, with a particular focus on how electrons move through molecular circuits. The thriving field of single molecular electronics benefits from the unique electrical and other properties of nanostructures. It concentrates on single molecular junctions that serve as bridges between electrodes. In this context, the electronic correlation-induced many-body effect gives rise to resonant states. These states, along with conductance, depend on electron spin. Thus, the f...
Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Amrit Sarmah Pavel Hobza Asit K Chandra Sivaprasad Mitra Takahito Nakajima Source Type: research
