Results 211 to 220 of about 1,951,898 (293)

Insights into the Degradation Mechanism of Aqueous LiMn2O4–Cathode Interfaces by Computational Vibrational Spectroscopy

Angewandte Chemie, EarlyView.
LiMn2O4${\rm LiMn}_2{\rm O}_4$ is of high interest for sustainable energy storage and conversion. Its mixed‐valence Mn3+${\rm Mn}^{3+}$/Mn4+${\text{Mn}}^{4+}$ structure drives site‐specific behavior at aqueous interfaces, featuring proton‐generating Mn4+${\text{Mn}}^{4+}$ centers and electron‐rich Mn3+${\rm Mn}^{3+}$ sites that render the surrounding ...
K. Nikolas Lausch, Redouan El Haouari, Philipp Schienbein, Jörg Behler   +3 more
wiley   +1 more source

Forces in mechanically interlocked materials.

Chem Soc Rev
Ganbaatar N, Li X, Ormson J, Foidart V, De Bo G, Fustin CA, Duwez AS.   +6 more
europepmc   +1 more source

Decoding structural rigidity and charge-transfer polarization in barbituric-acid-based donor-π-acceptor chromophores. [PDF]

RSC Adv
Miryala K, Katdare M, Dey N.
europepmc   +1 more source

Hydration‐Gated Photoinduced Electron Transfer in BODIPY Dyes

Angewandte Chemie, EarlyView.
Hydration switches photoinduced electron transfer (PET) ON in alkoxy‐coordinated BODIPY dyes via specific hydrogen bonding. This gating yields a fluorescence lifetime span of ∼6 ns, enabling fluorescence lifetime imaging microscopy (FLIM) contrast in live cells and organoids. ABSTRACT Fluorescent probes based on photoinduced electron transfer (PET) are
Venkata N. K. Mamillapalli, Irina A. Okkelman, Fatima Akhssas, Greta Sambucari, Angela C. Debruyne, Dinesh Beniwal, Christophe Bucher, Mariangela Di Donato, Ruslan I. Dmitriev, Mikhail A. Filatov   +9 more
wiley   +1 more source

Development of a Conformational Sampling Method for Transition State Structures With Diverse Active Bond Lengths. [PDF]

J Comput Chem
Matsutani S, Shomura T, Tsuji N, Maeda S.   +3 more
europepmc   +1 more source

Photoswitchable Ambiphilicity: Light‐Gated Frustrated Lewis Pair Reactivity and Z‐Type Interaction

Angewandte Chemie, EarlyView.
Light‐controlled ambiphilicity is realized in photoswitchable intramolecular phosphorus/boron Lewis pairs. Reversible switching modulates both the thermodynamics and kinetics of frustrated Lewis‐pair reactivity, enabling light‐gated CO2 binding and release.
Lennart Stoess, Emil L. M. Paulin, Fabian Michel, Lutz Greb   +3 more
wiley   +1 more source

Atomistic Insights into Conformations and Solvation Dynamics of Amylose, Dextran, and Pullulan Using Three Force Fields. [PDF]

J Phys Chem B
Farzeen P, Yoon HY, Coutinho IT, Roman M, Moore R, Deshmukh SA.   +5 more
europepmc   +1 more source

Axially Chiral Nonalternant Polycyclic Aromatic Hydrocarbon With Consecutive Pentagons Exhibiting Large Spin‐Polarized Current

Angewandte Chemie, EarlyView.
Here we report two nonalternant polycyclic aromatic hydrocarbons (PAH) (1 and 2), which contain two and four consecutive pentagons, respectively. Under acidic conditions, 1 and 2 dimerize to afford the axially chiral dimers AC1 and AC2. The central azulene moiety in both 2 and AC2 shows an unusually short transannular bond of 1.366 Å.
Chang Wang, Jiaxin Luo, Haipeng Lu, Junzhi Liu   +3 more
wiley   +1 more source

Aggregation-Induced Emission Luminogens Based on Restriction of Intramolecular Vibration. [PDF]

ACS Cent Sci
Lau A, Yang Z, Wu B, Wu Q, Zhao Z, Tang BZ.   +5 more
europepmc   +1 more source

Agostic Hydridoborate Complexes as Masked Coinage‐Metal Hydrides: Hydride Migration Between Boron and Gold Unlocks CO2 Reactivity

Angewandte Chemie, EarlyView.
Hydride addition to coinage‐metal diphosphine–borane complexes gives unprecedented Cu(I), Ag(I), and Au(I) hydridoborates featuring agostic σ(B–H)→M interactions. While, Cu and Ag derivatives are inert toward CO2, the Au analogue reversibly fixes CO2 and catalyzes its hydroboration as well as formic acid dehydrogenation through a cooperative B─H─Au ...
Balakrishna Peddi, Sonia Mallet‐Ladeira, Karinne Miqueu, Ghenwa Bouhadir, Didier Bourissou   +4 more
wiley   +1 more source