Results 31 to 40 of about 764 (178)

Reactions of Experimentally Known Closo-C₂B₈H₁₀ with Bases. A Computational Study

Crystals, 2020
On the basis of the direct transformations of closo-1,2-C2B8H10 with OH(−) and NH3 to arachno-1,6,9-OC2B8H13(−) and arachno-1,6,9-NC2B8H13, respectively, which were experimentally observed, the DFT computational protocol was used to examine the ...
Josef Holub, Jindřich Fanfrlík, Michael L. McKee, Drahomír Hnyk   +3 more
doaj   +1 more source

Crystal structure of 1,1′-bis[1,7-dicarba-closo-dodecaborane(11)]

Acta Crystallographica Section E, 2014
In the title compound, C4H22B20, the two {1,7-closo-C2B10H11} cages are linked across a centre of inversion, with C—C = 1.5401 (16) Å. The position of the second non-linking cage C atom was established unambiguously by geometric and crystallographic ...
Lisa Elrick, Georgina M. Rosair, Alan J. Welch   +2 more
doaj   +1 more source

Reevaluating ortho-Carborane Synthesis: Success with Mono-Substituted Acetylenes in the Presence of Silver Salts

Журнал органічної та фармацевтичної хімії
The study shows that traditional methods for synthesizing ortho-carboranes from nido-B10H14 and its complexes (B10H12L2) using donor- and acceptor-disubstituted acetylenes yielding low efficiencies (yields 0 - 12%).
Oleh V. Svaliavyn, Artem M. Mishchenko, Yulian L. Lishchenko, Andrey P. Mityuk, Alona S. Cherednichenko, Nataliya A. Shtil, Volodymyr V. Turcheniuk, Radomyr V. Smaliy, Yuliya V. Rassukana, Olexandr Ye. Pashenko   +9 more
doaj   +1 more source

Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes

Nature Communications, 2021
In comparison to their neutral or anionic counterparts, examples of cationic boron clusters remain scarce. Here, the authors prepare a variety of cationic polyhedral boranes by reacting closo-10-vertex carboranes with N-heterocyclic carbenes; the ...
Jan Vrána, Josef Holub, Maksim A. Samsonov, Zdeňka Růžičková, Josef Cvačka, Michael L. McKee, Jindřich Fanfrlík, Drahomír Hnyk, Aleš Růžička   +8 more
doaj   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Superatom Distortion Induces Triferroicity and Spin Splitting in Two‐Dimensional Antiferromagnets

Advanced Science, EarlyView.
The incorporation of superatoms into a 2D square lattice induces symmetry breaking, thereby enabling concurrent coupling among magnetism, ferroelectricity, and ferroelasticity. This strategy achieves triferroic behavior—characterized by spin‐split antiferromagnetic ground states—and offers a viable pathway toward energy‐efficient spintronic devices ...
Zhen Gao, Fengxian Ma, Guoping Gao, Weizhen Meng, Ying Liu, Yandong Ma, Yalong Jiao   +6 more
wiley   +1 more source

A Strong Lewis Acidic Diethylsilylium Catalyst for Direct Sulfonamidation of Challenging Ketones

Advanced Science, EarlyView.
Low‐substitution‐order silylium ions (R2HSi+) exhibit exceptional Lewis acidic activity. We report diethylsilylium‐catalyzed reductive sulfonamidation of functionalized ketones to access β‐amino esters. The in situ generated ion pair shows enhanced reactivity, with diethylsilane serving as both reductant and precatalyst. The developed protocol proceeds
Woo Hee Kim, Muhammad Israr, You Kyoung Chung, Shinwon Ham, Joonsuk Huh, Han Yong Bae   +5 more
wiley   +1 more source

Transition metal-free oxidative and deoxygenative C–H/C–Li cross-couplings of 2H-imidazole 1-oxides with carboranyl lithium as an efficient synthetic approach to azaheterocyclic carboranes

Beilstein Journal of Organic Chemistry, 2018
The direct C–H functionalization methodology has first been applied to perform transition metal-free C–H/C–Li cross-couplings of 2H-imidazole 1-oxides with carboranyllithium.
Lidia A. Smyshliaeva, Mikhail V. Varaksin, Pavel A. Slepukhin, Oleg N. Chupakhin, Valery N. Charushin   +4 more
doaj   +1 more source

Hypergolic Copper Cluster‐Based Covalent Organic Frameworks

Advanced Science, EarlyView.
Hpergolic cluster‐based covalent organic framework (Cu3‐CB‐COF), assembled from aldehyde‐functionalized carborane monomers and trinuclear copper clusters, demonstrates a strong synergy between its catalytic copper nodes and energetic carborane backbones.
Yu‐Zhou Qiao, Cai Li, Wen‐Yang Jiao, Guoqiang Sun, Xiao‐Fei Liu, Shuang‐Quan Zang   +5 more
wiley   +1 more source

Synthesis of Carboranyl-Containing β-Arylaliphatic Acids for Potential Application in BNCT

Molecules
One of the promising research areas involving carborane derivatives is boron neutron capture therapy (BNCT). Due to the high boron atom content in carborane molecules, these compounds are considered potential candidates for BNCT-based cancer treatment ...
Lana I. Lissovskaya, Ilya V. Korolkov
doaj   +1 more source