Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
Abstract
The first general method for the palladium-catalyzed Suzuki-Miyaura and carbonyl enolate coupling of unactivated aryl arenesulfonates was developed utilizing XPhos, 1, and Pd(OAc)2. This is of significant interest because aryl tosylates and aryl benzenesulfonates are more easily handled and considerably less expensive than aryl triflates. This catalyst system effects the coupling of a variety of aryl, heteroaryl, and extremely hindered arylboronic acids with different aryl tosylates, under mild conditions. The same catalyst was employed in the first carbonyl enolate coupling of aryl arensulfonates. Copyright © 2003 American Chemical Society.
Publication Title
Physical Chemistry Chemical Physics
Recommended Citation
Nguyen, H., Huang, X., & Buchwald, S. (2022). Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods. Physical Chemistry Chemical Physics, 24 (24), 14680-14691. https://doi.org/10.1039/d2cp01132h
