Results 1 to 10 of about 2,056,246 (208)

Efficient Oxidative Dearomatisations of Substituted Phenols Using Hypervalent Iodine (III) Reagents and Antiprotozoal Evaluation of the Resulting Cyclohexadienones against T. b. rhodesiense and P. falciparum Strain NF54

Molecules, 2022
Quinones and quinols are secondary metabolites of higher plants that are associated with many biological activities. The oxidative dearomatization of phenols induced by hypervalent iodine(III) reagents has proven to be a very useful synthetic approach ...
Nina Scheiber, Gregor Blaser, Eva-Maria Pferschy-Wenzig, Marcel Kaiser, Pascal Mäser, Armin Presser   +5 more
doaj   +2 more sources

Electronic structure and the glass transition in pnictide and chalcogenide semiconductor alloys. Part II: The intrinsic electronic midgap states [PDF]

J. Chem. Phys. 133, 234504 (2010), 2010
We propose a structural model that treats in a unified fashion both the atomic motions and electronic excitations in quenched melts of pnictide and chalcogenide semiconductors. In Part I (submitted to J. Chem. Phys.), we argued these quenched melts represent aperiodic $pp\sigma$-networks that are highly stable and, at the same time, structurally ...
Andriy Zhugayevych, Baxter R. J., Burdett J. K., Lindemann F. A., Stewart J. J. P., Vassiliy Lubchenko   +5 more
arxiv   +3 more sources

High-Potential Hypervalent Antimony(V) Porphyrin-C₆₀ Conjugates: Excitation Energy Transfer Dominates over Reductive Electron Transfer. [PDF]

Inorg Chem
High-potential hypervalent antimony(V) porphyrins have been covalently linked to the well-known electron acceptor C60 molecule, resulting in the formation of antimony(V) porphyrin-fullerene conjugates: SbP–C60 and SbPF3–C60.
Zarrabi N, Sharma JK, Andzelevich K, Karr PA, van der Est A, D'Souza F, Poddutoori PK.   +6 more
europepmc   +2 more sources

Regioselective, catalytic 1,1-difluorination of enynes. [PDF]

Nat Chem, 2023
Hypervalent iodine catalysis remains a powerful method to enable geminal difluoromethylenation of alkenes. However, the scope is mainly limited to styrene derivatives.
Wang ZX, Livingstone K, Hümpel C, Daniliuc CG, Mück-Lichtenfeld C, Gilmour R.   +5 more
europepmc   +2 more sources

Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes, and Reactions [PDF]

Journal of Chemical Theory and Computation, 2018
The implementation, validation, and application of the multi-state VALBOND method for transition-metal-containing and hypervalent molecules are presented. This approach is particularly suited for molecules with unusual shapes and systems that need to be described by a superposition of resonance structures, each of which satisfies the octet rule.
Maurus H. Schmid, Akshaya Kumar Das, Clark R. Landis, Markus Meuwly   +3 more
openaire   +6 more sources

Halogen, Chalcogen, and Pnicogen Bonding Involving Hypervalent Atoms. [PDF]

Chemistry, 2018
The additional substituents arising from hypervalency present a number of complicating issues for the formation of noncovalent bonds. The XF5 molecule (X=Cl, Br, I) was allowed to form a halogen bond with NH3 as the base. Hypervalent chalcogen bonding is
S. Scheiner, Jia Lu
semanticscholar   +3 more sources

Medicinal Hypervalent Tellurium Prodrugs Bearing Different Ligands: A Comparative Study of the Chemical Profiles of AS101 and Its Halido Replaced Analogues

International Journal of Molecular Sciences, 2022
Ammonium trichloro (dioxoethylene-O,O′) tellurate (AS101) is a potent immunomodulator prodrug that, in recent years, entered various clinical trials and was tested for a variety of potential therapeutic applications.
Lorenzo Chiaverini, Damiano Cirri, Iogann Tolbatov, F. Corsi, I. Piano, A. Marrone, A. Pratesi, T. Marzo, D. La Mendola   +8 more
semanticscholar   +1 more source

Charge-Shift Bonding in Xenon Hydrides: An NBO/NRT Investigation on HXeY···HX (Y = Cl, Br, I; X = OH, Cl, Br, I, CCH, CN) via H-Xe Blue-Shift Phenomena

Frontiers in Chemistry, 2020
Noble-gas bonding represents curiosity. Some xenon hydrides, such as HXeY (Y = Cl, Br, I) and their hydrogen-bonded complexes HXeY···HX (Y = Cl, Br, I; X = OH, Cl, Br, I, CN, CCH), have been identified in matrixes by observing H-Xe frequencies or its ...
Guiqiu Zhang, Yue Su, Xiaoran Zou, Lei Fu, Junjie Song, Dezhan Chen, Chuanzhi Sun   +6 more
doaj   +1 more source

2,2′-(Disulfanediyl)dibenzoic acid N,N-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title 1:1 solvate, C14H10O4S2·C3H7NO, features a twisted molecule of 2,2′-dithiodibenzoic acid (DTBA), with the central C—S—S—C torsion angle being −88.57 (6)°, and a molecule of dimethylformamide (DMF).
Sang Loon Tan, Edward R. T. Tiekink
doaj   +1 more source

Ternary Hypervalent Silicon Hydrides via Lithium at High Pressure [PDF]

Phys. Rev. Materials 4, 113607 (2020), 2020
Hydrogen is rarely observed as ligand in hypervalent species, however, we find that high-pressure hydrogenation may stabilise hypervalent hydrogen-rich materials. Focussing on ternary silicon hydrides via lithium doping, we find anions composed of hypervalent silicon with H ligands formed under high pressure.
arxiv   +1 more source