Results 51 to 60 of about 3,044 (143)

Impact of the Electronic Variation at the Ligand Backbone on the Redox Chemistry of Bipyridine‐Mn(CO)3Br Complexes

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 2, 5 February 2026.
Herin, we investigate the impact of electronic variation in 4,4′‐position of the bipyridine ligand LR in [LRMn(CO)3Br], 1R, on the coupled electrochemical and chemical reactions proceeding initial reduction of 1R (R = −CF3, −OMe, and −Ph). Herein, we investigate the impact of electronic variation in 4,4′‐position of the bipyridine ligand in [LRMn(CO ...
Kai‐Thorben Kuessner, Leon Frauen, Aranya Ghosh, Inke Siewert   +3 more
wiley   +1 more source

A Multipronged Comparative Study of the Ultraviolet Photochemistry of 2-, 3-, and 4-Chlorophenol in the Gas Phase [PDF]

, 2015
The S1(1ππ*) state of the (dominant) syn-conformer of 2-chlorophenol (2-ClPhOH) in the gas phase has a subpicosecond lifetime, whereas the corresponding S1 states of 3- and 4-ClPhOH have lifetimes that are, respectively, ∼2 and ∼3-orders of magnitude ...
Ashfold, M N R, Few, J D, Gowrie, S, Hadden, D J, Hancock, G, Harris, S J, Harvey, J N, Karsili, T N V, Murdock, D, Oliver, T A A, Poisson, L, Roberts, G M, Soep, B, Spighi, G, Stavros, V G, Wenge, A M, Zaouris, D K   +16 more
core   +3 more sources

One‐Pot Base‐Free Suzuki‐Miyaura [11C]Methylation: Kinetic and Mechanistic Insights

Chemistry – A European Journal, Volume 32, Issue 1, 2 January 2026.
A base‐free Suzuki–Miyaura [11C]methylation is achieved in a one‐pot process with [11C]CH3I on moderate yields. Electronic effects enable transmetallation without boronate activation, while kinetics and DFT show oxidative addition (heterolytic) as the rate‐limiting step.
Oscar Moreno, Imad Azzeggarh, Jason P. Holland, Albert D. Windhorst, Jordi Llop   +4 more
wiley   +1 more source

17O NMR: A "Rare and Sensitive" Probe of Molecular Interactions and Dynamics [PDF]

, 2015
This review summarizes recent developments in the area of liquid-state Nuclear Magnetic Resonance spectroscopy of the 17O nucleus. It is structured in Sections, respectively covering (a) general background information, with special emphasis on spin ...
Abdul-Sada, Abragam, Achlama-Chmelnick, Adamczyk-Wozńiak, Adamczyk-Wozńiak, Aime, Alkorta, Ashbrook, Ashbrook, Auer, Augspurger, Autschbach, Bader, Baggioli, Bagno, Bagno, Balakrishnan, Balogh, Benzi, Bertini, Bilalbegović, Bloembergen, Boeré, Bogle, Bonhomme, Boykin, Brown, Bryce, Buckingham, Buckingham, Buckingham, Bull, Błażewska, Casabianca, Castiglione, Cerioni, Cerkovnik, Cerkovnik, Chen, Chung, Cohen, Collins, Cossi, Cossi, Craik, Cramer, Cui, Datta, de Sá, Delli Castelli, Ditchfield, Drahos, Dračínský, Ernst, Esrafili, Esrafili, Exner, Facelli, Ferraro, Field, Field, Fusaro, Fusaro, Gale, Gauss, Gerothanassis, Gerothanassis, Gester, Gierczyk, Gierczyk, Gierczyk, Goedecker, Goedecker, Halle, Hanashima, Harris, Helgaker, Helgaker, Helgaker, Helm, Helm, Helm, Hermann, Hindman, Jackowski, Jerschow, Justino, Kaieda, Karadakov, Kaupp, Kaupp, Kimmich, Kiralj, Kjær, Klein, Koch, Kovalewski, Kukic, Kupka, Kupka, Kutzelnigg, Kállay, Lee, Lemaître, Lerner, Levitt, Lieb, Lin, Lodewyk, Lu, Maccagno, Maigut, Makulski, Makulski, Makulski, Malkin, Mares, Marx, Mattea, Mayer, Merbach, Miliordos, Miller, Miyamoto, Mocci, Mocci, Mocci, Nonat, Nummert, Nymand, Ochsenfeld, Oldfield, Oldfield, Park, Pascual-Borràs, Patinec, Pavone, Pedone, Pennanen, Persson, Persson, Peters, Pfommer, Placidi, Plesničar, Prasad, Qvist, Ramsey, Refield, Rizzo, Roca-Sabio, Rolla, Runge, Sabzyan, Schmidt, Sebastiani, Siuda, Slichter, Solomon, Spiess, Stewart, Szabo, Tan, Tircsó, Tomasi, Vaara, Vaara, Vaara, Walstedt, Wasylishen, Watanabe, Weingärtner, Weinmann, Werbelow, Werbelow, Werbelow, Westlund, Wolinski, Wong, Wren, Wu, Xu, Yamada, Yan, Zanonato, Zawodzinski, Zhu, Zhu, Zhu, Zhu   +189 more
core   +1 more source

Electronic and Steric Tuning of Molecular Acidity toward Unified Models for Excited State Proton Transfer

Advanced Science, Volume 13, Issue 4, 19 January 2026.
Conventional excited‐state proton transfer (ESPT) theories explain the kinetics of fluorescent photoacids, but face challenges for weakly or nonfluorescent ones. This missing link is bridged by making and dissecting series of green fluorescent protein chromophore derivatives with varied photoacidities via strategic substitutions. Structure‐photoacidity
Cheng Chen, Ivan N. Myasnyanko, Mikhail S. Baranov, Chong Fang   +3 more
wiley   +1 more source

Electronic origins of photocatalytic activity in d0 metal organic frameworks

, 2016
Metal-organic frameworks (MOFs) containing d0 metals such as NH2-MIL-125(Ti), NH2-UiO-66(Zr) and NH2-UiO-66(Hf) are among the most studied MOFs for photocatalytic applications.
Fedin, MV, Gascon, J, Hendon, CH, Houtepen, AJ, Nasalevich, MA, Santaclara, JG, Svane, K, Van der Linden, B, Van der Veen, MA, Veber, SL, Walsh, A   +10 more
core   +1 more source

The use of residual dipolar coupling for conformational analysis of structurally related natural products [PDF]

, 2015
The authors would like to acknowledge the EPSRC for funding.Determining the conformational preferences of molecules in solution remains a considerable challenge. Recently, the use of residual dipolar coupling (RDC) analysis has emerged as a key method to
Lancefield, Christopher Stuart, Lebl, Tomas, Slawin, Alexandra Martha Zoya, Westwood, Nicholas James   +3 more
core   +1 more source

Multi-task learning for pKa prediction [PDF]

, 2018
Many compound properties depend directly on the dissociation constants of its acidic and basic groups. Significant effort has been invested in computational models to predict these constants. For linear regression models, compounds are often divided into
Hansen, Katja, Rupp, Matthias, Sanguinetti, Guido, Skolidis, Grigorios   +3 more
core  

Catalytic enantioselective [2,3]-rearrangements of allylic ammonium ylides : a mechanistic and computational study [PDF]

, 2017
The research leading to these results (T. H. W., J. E. T., G. C. L.-J. and A.D.S) has received funding from the ERC under the European Union's Seventh Framework Programme (FP7/2007-2013) / E.R.C. grant agreements n° 279850 and n° 340163. A.D.S.
Brueckner, Alexander C., Cheong, Paul Ha-Yeon, Johnston, Ryne C., Lloyd-Jones, Guy C., Smith, Andrew D., Taylor, James E., Walden, Daniel M., West, Thomas H.   +7 more
core   +3 more sources

Aryl Halides as Potential Components for O-Aryl-N-(9\u27-acridinyl)-hydroxylamines Antitumor Agents [PDF]

, 2021
Acridine derivatives such as m-amsacrine (m-AMSA) are known to intercalate deoxyribonucleic acid (DNA). Their action targets the growth, function, and replication of cancer cells.
Munder, Erin
core   +1 more source