Results 151 to 160 of about 2,313,045 (347)

Nd(III)‐Based Temperature‐Independent Manometer and Pressure‐Independent Thermometer with Slow Relaxation of Magnetization

Advanced Optical Materials, EarlyView.
The Neodymium(III) macrocyclic complex [NdL(CF3SO3)3] serves as a non‐contact, bifunctional sensor for temperature and pressure, displaying field‐induced Single Molecule Magnet (SMM) behavior. At 3 GPa, triflate rotations halt, triggering a disorder‐order phase transition from centrosymmetric phase α to noncentrosymmetric high‐pressure phase β.
Dawid Marcinkowski, Dominika Prętka, Przemysław Woźny, Jedrzej Kobylarczyk, Agnieszka Siwiak, Dawid Pakulski, Violetta Patroniak, Kinga Roszak, Andrzej Katrusiak, Radovan Herchel, Robert Podgajny, Szymon Sobczak, Natalia Majewska, Sebastian Mahlik, Marcin Runowski, Adam Gorczyński   +15 more
wiley   +1 more source

Highly Efficient Upconverted Fluorescence from Coulombically Assembled Ion Pair

Advanced Optical Materials, EarlyView.
A dicationic Os(II) complex paired with two monoanionic fluorophores is designed to enable highly efficient triplet–triplet annihilation upconversion, achieving a remarkable upconverted fluorescence quantum yield of 13% at 785 nm excitation with a record‐low threshold intensity of 5.9 mW cm⁻2, attributed to diffusion‐free acceleration of energy ...
Ji Hye Baek, Dayoon Song, Gyurim Park, Srinivas Avula, Soojin Park, Kei Ohkubo, Youngmin You   +6 more
wiley   +1 more source

A mode-coupling theory analysis of the rotation driven translational motion of aqueous polyatomic ions

, 2017
In contrast to simple monatomic alkali and halide ions, complex polyatomic ions like nitrate, acetate, nitrite, chlorate etc. have not been studied in any great detail.
Bagchi, Biman, Banerjee, Puja
core   +1 more source

Interior and Exterior Boron Doping in Functional Azacalixarenes Triggering Narrowband Delayed Fluorescence

Advanced Optical Materials, EarlyView.
A unique regioselective interior/exterior borylation strategy is presented for the one‐shot synthesis of two distinct organoboron luminophores from a common macrocyclic azacalix[3]arene. This interior/exterior borylation imparts the material with remarkable TADF properties and narrowband emission capabilities, spanning the violet to blue spectral ...
Sudhir K. Keshri, Hiroko Nomura, Takuma Yasuda   +2 more
wiley   +1 more source

High‐Efficiency Blue‐Emitting Multi‐Resonance TADF Organic Light‐Emitting Diodes Constructed on Spiro Quinolinoacridine/Fluorene‐diphenylphosphine Oxide Positional Isomers

Advanced Optical Materials, EarlyView.
We report spiro‐configured hosts constructed on the assembly of a quinolinoacrdine unit and different fluorene positional isomers for high‐performance blue MR‐TADF Organic Light‐Emitting Diodess. The v‐DABNA:CN‐Ir emissive layer combination with SQA‐4‐FPOPh2 as host shows a narrowband emission peak and a high maximum external quantum efficiency of 22.9%
Kelvine Letellier, Yue‐Jian Yang, Wei Gao, Dong‐Ying Zhou, Denis Ari, Cassandre Quinton, Zuo‐Quan Jiang, Cyril Poriel   +7 more
wiley   +1 more source

Thermally Activated Delayed Fluorescence and Beyond. Photophysics and Material Design Strategies.

Advanced Photonics Research, EarlyView.
Photophysical properties of TADF molecules are determined by characteristic parameters that are discussed in detail(. Moreover, using femtosecond time‐resolved spectroscopy, quantum mechanical considerations, and state‐of‐art calculations, deeper understanding allows us to design breakthrough Cu(I) and organic TADF‐ OLED materials. For the latter ones,
Hartmut Yersin, Uwe Monkowius
wiley   +1 more source

Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching

, 2022
Won Hee Ryu, Gregory A. Voth
openalex   +1 more source

Direct Access to α,β‐Unsaturated γ‐Lactams via Palladium‐Catalysed Carbonylation of Propargylic Ureas.

Advanced Synthesis &Catalysis, Volume 367, Issue 5, March 4, 2025.
Abstract Additive carbonylations typically necessitate strong nucleophiles, such as alcohols or amines. In this study, we carbonylated a poorly nucleophilic urea, under oxidant‐free conditions. Our straightforward carbonylative strategy enables access to versatile α,β‐unsaturated γ‐lactams featuring an aminocarbonyl fragment, utilizing readily ...
Debora Schiroli, Aleksandr Voronov, Francesco Pancrazzi, Nunzio Iraci, Salvatore Vincenzo Giofrè, Beatrice Macchi, Valeria Stefanizzi, Raffaella Mancuso, Bartolo Gabriele, Paolo Pio Mazzeo, Luca Capaldo, Nicola Della Ca'   +11 more
wiley   +1 more source

Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics [PDF]

, 2011
We studied the thermal decomposition and subsequent reaction of the energetic material nitromethane (CH_3NO_2) using molecular dynamics with ReaxFF, a first principles-based reactive force field.
Goddard, William A., III, Han, Si-ping, Strachan, Alejandro, van Duin, Adri C. T.   +3 more
core  

Asymmetric Synthesis of Highly Substituted Spiro[2H‐pyrrole‐2,3‐Succinimide] Derivatives by Copper‐Catalyzed Post‐Ugi Reactions

Advanced Synthesis &Catalysis, EarlyView.
Abstract Herein we present a novel one‐pot methodology for the synthesis of enantioenriched 2H‐pyrrolespirosuccinimides by copper‐catalyzed reactions on Ugi adducts derived from enantiopure α‐alkylbenzyl amines through a chirality transfer process. We have proposed a mechanism, supported by density functional theory (DFT) calculations, where a hydrogen
Javier Gómez‐Ayuso, Israel Carreira‐Barral, Roberto Quesada, María García‐Valverde   +3 more
wiley   +1 more source