A5038225767- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Chemical Synthesis and Reactions
- High-pressure geophysics and materials
- Advanced Chemical Physics Studies
- Synthesis of heterocyclic compounds
- Synthesis and Catalytic Reactions
- Crystallography and molecular interactions
- Synthetic Organic Chemistry Methods
- Astro and Planetary Science
- Nanowire Synthesis and Applications
- Quantum, superfluid, helium dynamics
- Silicon Nanostructures and Photoluminescence
- Advanced Research in Systems and Signal Processing
- Quantum Dots Synthesis And Properties
- Phase Equilibria and Thermodynamics
- Polyoxometalates: Synthesis and Applications
- Industrial Technology and Control Systems
- nanoparticles nucleation surface interactions
- Asymmetric Synthesis and Catalysis
- Catalysis and Oxidation Reactions
- Synthesis and Biological Evaluation
- Chemical Synthesis and Analysis
- Chemical Thermodynamics and Molecular Structure
- Oxidative Organic Chemistry Reactions
Skolkovo Institute of Science and Technology
2016-2022
P.N. Lebedev Physical Institute of the Russian Academy of Sciences
2021-2022
Moscow Institute of Physics and Technology
2016-2019
N.D. Zelinsky Institute of Organic Chemistry
2012-2015
Russian Academy of Sciences
2014
The University of Texas at San Antonio
2014
Urology San Antonio
2014
Mechanistic and synthetic studies of the Mo/P-catalyzed N-oxidation N-heterocycles with hydrogen peroxide shed light on role nature catalytically active species.
C–H–N–O system is central for organic chemistry and biochemistry plays a major role in planetary science (dominating the composition of "ice giants" Uranus Neptune). The inexhaustible chemical diversity this at normal conditions explains its as basis all known life, but high pressures temperatures interiors poorly known. Using ab initio evolutionary algorithm USPEX, we performed an extensive study phase diagram 50, 200, 400 GPa up to 3000 K. Seven novel thermodynamically stable phases were...
Understanding the high-pressure behavior of C–H system is great importance due to its key role in organic, bio-, petroleum, and planetary chemistry. We have performed a systematic investigation pressure–composition phase diagram at pressures up 400 GPa using evolutionary structure prediction coupled with ab initio calculations discovered that only saturated hydrocarbons are thermodynamically stable. Several stable methane-hydrogen cocrystals predicted: 2CH4 * H2, earlier obtained...
We address the question why among multitude of imaginable CnHm compositions some are easily synthesizable and abundant in nature, while others not. To shed light on this problem we borrow approaches from nanocluster study, where stability with respect to neighboring is used as a criterion "magic" (particularly stable) clusters. By merging predictions lowest-energy structures all molecules wide range (n ≤ 20, m 42) provide guidelines for predicting presence or absence certain hydrocarbon...
Oxidation of silicon nanoclusters depending on the temperature and oxygen pressure is explored from first principles using evolutionary algorithm, structural thermodynamic analysis. From our calculations 90 SinOm clusters we found that under normal conditions oxidation does not stop at stoichiometric SiO2 composition, as it in bulk silicon, but goes further placing extra atoms cluster surface. These are responsible for light emission, relevant to reactive species many them magnetic. We argue...
Abstract Easily available, six‐membered cyclic nitroso acetals 2 are smoothly oxidized with meta ‐chloroperbenzoic acid to δ‐nitro alcohols 3 or γ‐nitro carbonyl compounds 4 the retention of their relative configurations stereocenters (diastereomeric ratio > 10:1). The reaction sequence – generation diastereomerically pure nitronates 1 from simple aliphatic nitro ( AN ), C–C coupling π‐nucleophiles, and oxidation resulting is considered be a new effective variant umpolung reactivity . An...
Tetrahydropyran-2-ones with a 4-amino function connected to tertiary carbon atom – widely naturally occurring fragment are constructed by three step protocol from easily available isoxazoline 2-oxides. In the first stage, skeleton of target product is formed upon C,C-coupling silyl ketene acetal nitronate function, under triflate catalysis. The key assembly consists oxidative cleavage an endocyclic N–O bond intermediate cyclic nitroso acetals mCPBA, accompanied lactone ring closure, and...
Abstract In this paper a convenient strategy for the synthesis of title compounds is suggested.