Synthesis of β-Silyl Amines via Merging Photoinduced Energy and Hydrogen Atom Transfer in Flow.

The development of efficient methods for synthesizing β-silyl amines has long been a significant goal in organic synthesis. Previous methods mainly relied on the use of prefunctionalized substrates or special reagents. Herein, we present a visible-light-promoted synthesis approach for β-silyl amines, utilizing a combination of photoinduced energy and hydrogen atom transfer processes.

Constructing Single- or Dual-Layer Biomass Composite Energetic Material through Self-Assembly of Biomass Polyphenol Structural Materials.

High energy and high risk have always restricted the application of materials in the military and civilian fields. To achieve this goal, researchers have studied the structural characteristics and structure-activity relationship of biomass polyphenol material to obtain core-shell biomass polyphenol composite energetic materials through molecular and structural design. The interface structure has a significant impact on the safety performance and thermal stability of energetic materials.

Biomass tannic acid modified titanium dioxide nanoparticles enhance desensitization and thermal stability of energetic materials.

Titanium dioxide (TiO) had the potential to be a desensitizing material, but its inherent characteristics presented challenges for coating on energetic materials. To enhance the interfacial interactions of energetic materials and TiO, the surface of TiO was modified with biomass tannic acid (TA) to prepare the core-shell (hexanitrohexaazaisowurtzitane) CL-20@TA-TiO energetic composites. Various characterization techniques were used to investigate the thermal performance, impact sensitivity, structure, and surface morphology of CL-20@TA-TiO.

Visible-Light-Promoted Catalyst-Free Oxyarylation and Hydroarylation of Alkenes with Carbon Dioxide Radical Anion.

Visible-light-mediated oxyarylation and hydroarylation of alkenes with aryl halides using formate salts as the reductant and hydrogen source under ambient conditions were developed. These protocols represent rare catalyst-free examples of the realization of such transformations. Using styrenes as substrates, oxyarylation could occur smoothly.

Visible light-promoted synthesis of ureas and formamides from amines and CO.

A divergent visible-light-induced PhP-promoted method for the synthesis of ureas and formamides from amines and CO is reported. Without external additions, a range of ureas could be directly accessed under ambient temperature and pressure. Using triisopropylsilanethiol as the hydrogen source, formamides could be produced.

Carbonylative coupling of simple alkanes and alkenes enabled by organic photoredox catalysis.

A visible-light-driven direct carbonylative coupling of simple alkanes and alkenes the combination of a hydrogen atom transfer process and photoredox catalysis has been demonstrated. Employing the -alkoxyazinium salt as the oxidant and the precursor of an oxygen radical, a variety of α,β-unsaturated ketones could be obtained in a metal-free fashion.

Theoretical research on cage-like furazan-based energetic compounds and its derivatives.

In this manuscript, we reported the design and prediction of two furazan-based cage-like molecules and their derivatives using density function theory (DFT). The heat formation and detonation properties were calculated using Hess's law and Kamlet-Jacobs equations with the B3PW91 method. The molecular stability and geometry were analyzed using the M06-2X method, and molecular crystal structures were predicted based on Monte Carlo simulation, while chemical reactive sites were judged using the PBE0 method based on Fukui function.

Visible-Light-Mediated Divergent Silylfunctionalization of Alkenes.

1,2-Silylfunctionalization of alkenes is an efficient way to construct highly functionalized silicon-containing compounds. However, examples of 1,2-silylfunctionalization of alkenes using readily available hydrosilanes are limited. Herein, we present a visible-light-mediated divergent 1,2-silylfunctionalization of alkenes using hydrosilane under ambient conditions.

Photoinduced Oxidative Alkoxycarbonylation of Alkenes with Alkyl Formates.

A photoinduced oxidative alkoxycarbonylation of alkenes initiated by intermolecular addition of alkoxycarbonyl radicals has been demonstrated. Employing alkyl formates as alkoxycarbonyl radical sources, a range of α,β-unsaturated esters were obtained with good regioselectivity and selectivity under ambient conditions.

Theoretical studies on oxadiazole-based layer stacking nitrogen-rich high-performance insensitive energetic materials.

A series of energetic compounds derived from substituted oxadiazole molecules which were theoretically proved to have π-π stacking crystal structure using NIC method and QTAIM theory were designed and investigated theoretically as novel high-performance insensitive energetic materials. The heats of formation (HOFs) and detonation parameters were predicted based on Kamlet-Jacobs equations and Born-Haber cycle. All energetic compounds and derivatives were calculated at DFT-B3PW91/6-31G++(d,p) level and exhibited ideal oxygen balance (OB%) (- 19.

Photoredox-Catalyzed α-C(sp)-H Activation of Unprotected Secondary Amines: Facile Access to 1,4-Dicarbonyl Compounds.

A photoredox-catalyzed α-C(sp)-H activation approach of unprotected secondary amines is reported. Such transformations provide facile access to various 1,4-dicarbonyl compounds using readily available amines and α,β-unsaturated compounds as feedstocks under air conditions. The substrate scope of this method is broad, and a wide array of functional groups are tolerated.

Theoretical investigation of nitrogen-rich high-energy-density materials based on furazan substituted s-triazine.

A series of furazan substituted s-triazine derivatives were designed and investigated theoretically as potential nitrogen-rich high-energy-density materials in this work. Density functional theory (DFT) methods were used to predict the heats of formation (HOFs) and compounds structure was optimized at B3PW91/6-31G++ (d,p) level. The explosive detonation parameters were calculated based on Kamlet-Jacobs equations and Born-Haber cycle.