DFT calculations show that the Pd(0)-catalyzed oxidative cross-coupling of 1,2-allenyl ketones with aryl boronic acids proceeds via a Pd(II)-carbenoid intermediate or a π-allyl-Pd(II) intermediate depending on the 1,2-allenyl ketone substrates.
In this review, we highlight the recent application of tabletop transient XUV spectroscopy to materials science, focusing on understanding the coupled electronic, structural, and spin dynamics.
Three-body single spur is formed through (1) energy deposition, (2) electron ejection, (3) electron relocalization, (4) electron thermalization, and (5) hydration. When the deposition energy is 11–19 eV, the spur radius is 3–10 nm.
DFT calculations were performed to investigate Pd-catalyzed allylic sulfonylation of tertiary allylic carbonates. The bifunctional role of the sulfonate nucleophile enables the C–S bond formation via a unique inner-sphere pathway.
This study introduces scalar projection techniques, shedding light on the exchange force's role in chemical bonding and electron sharing.