The reaction of lead(II) bromide with RMgBr, R = 2,4,6-Et3C6H2, furnishes black crystals of hexakis(2,4,6-triethylphenyl)cyclotriplumbane (1) as the first molecule with a homonuclear lead ring. 1 adopts a skewed structure with highly stretched Pb-Pb bond lengths of 3.185 A (average), which indicate that the three-membered ring is formed by weak interactions of 3 singlet plumbylene molecules.
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http://dx.doi.org/10.1021/ja036299d | DOI Listing |
J Phys Chem Lett
January 2025
Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, Guangdong, China.
The electrochemical reduction reaction (RR) of CO to high value multicarbon products is highly desirable for carbon utilization. Dual transition metal atoms dispersed by N-doped graphene are able to be highly efficient catalysts for this process due to the synergy of the bimetallic sites for C-C coupling. In this work, we screened homonuclear dual-atom catalysts dispersed by N-doped graphene to investigate the potential in CO reduction to C products by employing density functional theory calculations.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Henan Key Laboratory of Crystalline Molecular Functional Materials, College of Chemistry, Zhengzhou University, Zhengzhou 450001, China.
The conversion of methane and carbon dioxide to form C products is of great interest but presents a long-standing grand challenge due to the significant obstacle of activating the inert C-H and C═O bonds as well as forming the C-C bonds. Herein, the consecutive C-C coupling of CH and CO was realized by using heteronuclear metal cations CuTa, and the desorption of HC═C═O molecules was evidenced by state-of-the-art mass spectrometry. The CuTa reaction system is significantly different from the homonuclear metal systems of Cu and Ta.
View Article and Find Full Text PDFSmall Methods
November 2024
Department of Applied Physics, The Hong Kong Polytechnic University, Hung Hom, Hong Kong SAR, China.
Toward high-density single atom catalysts (SACs), the interaction between neighboring SACs and the induced non-linear loading effect become crucial for their intrinsic catalytic performance. Despite recent investigations on homonuclear SACs, understanding such effect in heteronuclear SACs remains limited. Using Fe and Co SACs co-supported on the nitrogen-doped graphene as a model system, the loading effect on the site-specific activity of heteronuclear SACs toward oxygen reduction reaction (ORR) is here reported by density functional theory calculations.
View Article and Find Full Text PDFJ Magn Reson
November 2024
Department of Chemistry and Francis Bitter Magnet Laboratory, Massachusetts Institute of Technology, Cambridge, MA 02139, United States. Electronic address:
In magic angle spinning (MAS) experiments involving uniformly C/N labeled proteins, C-C and C-N dipolar recoupling experiments are now routinely used to measure direct dipole-dipole couplings that constrain distances and torsion angles and determine molecular structures. When the distances are short (<4 Å), the direct couplings dominate the evolution of the spin system, and the C-C and C-N J-couplings (scalar couplings) are ignored. However, for structurally interesting >4 Å distances, the dipolar and J-couplings are generally of comparable magnitude, and the variation in J must be included in order to optimize the precision of the experiment.
View Article and Find Full Text PDFPhys Rev E
September 2024
Department of Physics, Lancaster University, Lancaster LA1 4YB, United Kingdom.
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